2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine

C19H36N2 — CID 63683283

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C)CC1N(C)CC1CC2CCC1C2
InChIInChI=1S/C19H36N2/c1-4-9-20-18-8-5-14(2)10-19(18)21(3)13-17-12-15-6-7-16(17)11-15/h14-20H,4-13H2,1-3H3
InChIKeyMOXDAVVMKVWSAD-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds6

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63683283) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID63683283
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C)CC1N(C)CC1CC2CCC1C2
InChIInChI=1S/C19H36N2/c1-4-9-20-18-8-5-14(2)10-19(18)21(3)13-17-12-15-6-7-16(17)11-15/h14-20H,4-13H2,1-3H3
InChIKeyMOXDAVVMKVWSAD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine with MolForge

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine
CID 55231832
2-N,4-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylcyclohexane-1,2-diamine
CID 79313888
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine
CID 79618401
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63681524

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine (CID 63683283) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(C)CC1N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is MOXDAVVMKVWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-9-20-18-8-5-14(2)10-19(18)21(3)13-17-12-15-6-7-16(17)11-15/h14-20H,4-13H2,1-3H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63683283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).