4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine

C22H33F2N5 — CID 153404785

IUPAC4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine
SMILESNC(F)F.NNNCC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4.CH3F2N/c22-24-23-15-18-11-13-21(14-12-18)25(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20;2-1(3)4/h1-10,18,21,23-24H,11-17,22H2;1H,4H2
InChIKeyRIQUJQYPCMKEDJ-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.38
Rot. Bonds8

About 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine

4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine (PubChem CID 153404785) has the molecular formula C22H33F2N5 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine.

Molecular Properties

Compound Name4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine
PubChem CID153404785
Molecular FormulaC22H33F2N5
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine
SMILESNC(F)F.NNNCC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4.CH3F2N/c22-24-23-15-18-11-13-21(14-12-18)25(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20;2-1(3)4/h1-10,18,21,23-24H,11-17,22H2;1H,4H2
InChIKeyRIQUJQYPCMKEDJ-UHFFFAOYSA-N
XLogP3.38
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
CID 71237036
N,N-dibenzylcyclobutanamine
CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137
2-amino-3-[benzyl(cyclopropyl)amino]propanamide
CID 131050094
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
CID 139369069
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine?
The IUPAC name of 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine (CID 153404785) is 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine.
What is the SMILES notation for 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine?
The canonical SMILES for 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine is NC(F)F.NNNCC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine?
The InChIKey is RIQUJQYPCMKEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4.CH3F2N/c22-24-23-15-18-11-13-21(14-12-18)25(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20;2-1(3)4/h1-10,18,21,23-24H,11-17,22H2;1H,4H2.
What are the key properties of 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine?
4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine has a molecular weight of 405.54 g/mol, XLogP of 3.38, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine is sourced from PubChem (CID 153404785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).