N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine

C14H25N3S — CID 115261466

IUPACN-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
SMILESCC(C)Sc1ccc(C(C)(C)CNCNN)cc1
InChIInChI=1S/C14H25N3S/c1-11(2)18-13-7-5-12(6-8-13)14(3,4)9-16-10-17-15/h5-8,11,16-17H,9-10,15H2,1-4H3
InChIKeyKNDGFXGZJBOTJF-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.48
Rot. Bonds7

About N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine

N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine (PubChem CID 115261466) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
PubChem CID115261466
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
SMILESCC(C)Sc1ccc(C(C)(C)CNCNN)cc1
InChIInChI=1S/C14H25N3S/c1-11(2)18-13-7-5-12(6-8-13)14(3,4)9-16-10-17-15/h5-8,11,16-17H,9-10,15H2,1-4H3
InChIKeyKNDGFXGZJBOTJF-UHFFFAOYSA-N
XLogP2.48
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
CID 115171438
N-(hydrazinylmethyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 115261410
N-[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamoyl bromide
CID 115194275
N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115226560
2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
CID 84677942
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261402
2-(1,3-benzodioxol-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261413
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
N-(chloromethyl)-2-methyl-2-(4-methylsulfanylphenyl)propan-1-amine
CID 115263682
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261404
1-N,2-N,2-trimethyl-2-N-(4-propan-2-ylsulfanylphenyl)propane-1,2-diamine
CID 115132596

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The IUPAC name of N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine (CID 115261466) is N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The canonical SMILES for N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine is CC(C)Sc1ccc(C(C)(C)CNCNN)cc1.
What is the InChIKey of N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The InChIKey is KNDGFXGZJBOTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)18-13-7-5-12(6-8-13)14(3,4)9-16-10-17-15/h5-8,11,16-17H,9-10,15H2,1-4H3.
What are the key properties of N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 115261466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).