N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine

C14H30N6 — CID 166668421

IUPACN-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine
SMILESC=C(NN)NCC1(C)CC(NC(=C)NN)CC(C)(C)C1
InChIInChI=1S/C14H30N6/c1-10(19-15)17-9-14(5)7-12(18-11(2)20-16)6-13(3,4)8-14/h12,17-20H,1-2,6-9,15-16H2,3-5H3
InChIKeyBKCVEFFZJFQKRS-UHFFFAOYSA-N
MW282.44 g/mol
LogP0.62
Rot. Bonds7

About N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine

N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine (PubChem CID 166668421) has the molecular formula C14H30N6 and a molecular weight of 282.44 g/mol. Its IUPAC name is N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine
PubChem CID166668421
Molecular FormulaC14H30N6
Molecular Weight282.44 g/mol
Exact Mass282.25
IUPAC NameN-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine
SMILESC=C(NN)NCC1(C)CC(NC(=C)NN)CC(C)(C)C1
InChIInChI=1S/C14H30N6/c1-10(19-15)17-9-14(5)7-12(18-11(2)20-16)6-13(3,4)8-14/h12,17-20H,1-2,6-9,15-16H2,3-5H3
InChIKeyBKCVEFFZJFQKRS-UHFFFAOYSA-N
XLogP0.62
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.44
LogP ≤ 50.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 144769247
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
2-[[1,3,3-trimethyl-5-(propan-2-yloxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 153361076
1-cyclohexyl-3-[(1R,3S)-3-[(cyclohexylcarbamothioylamino)methyl]-3,5,5-trimethylcyclohexyl]thiourea
CID 101410739
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine
CID 170057296

Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine (CID 166668421) is N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine is C=C(NN)NCC1(C)CC(NC(=C)NN)CC(C)(C)C1.
What is the InChIKey of N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine?
The InChIKey is BKCVEFFZJFQKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N6/c1-10(19-15)17-9-14(5)7-12(18-11(2)20-16)6-13(3,4)8-14/h12,17-20H,1-2,6-9,15-16H2,3-5H3.
What are the key properties of N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine?
N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine has a molecular weight of 282.44 g/mol, XLogP of 0.62, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 166668421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).