N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine

C17H32N2 — CID 63687931

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine
SMILESCN(CC1CC2CCC1C2)C(CN)C1CCCCC1
InChIInChI=1S/C17H32N2/c1-19(12-16-10-13-7-8-15(16)9-13)17(11-18)14-5-3-2-4-6-14/h13-17H,2-12,18H2,1H3
InChIKeyOBZYPOXTABCHEE-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.26
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine (PubChem CID 63687931) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine
PubChem CID63687931
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine
SMILESCN(CC1CC2CCC1C2)C(CN)C1CCCCC1
InChIInChI=1S/C17H32N2/c1-19(12-16-10-13-7-8-15(16)9-13)17(11-18)14-5-3-2-4-6-14/h13-17H,2-12,18H2,1H3
InChIKeyOBZYPOXTABCHEE-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 63688840
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine (CID 63687931) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine is CN(CC1CC2CCC1C2)C(CN)C1CCCCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine?
The InChIKey is OBZYPOXTABCHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-19(12-16-10-13-7-8-15(16)9-13)17(11-18)14-5-3-2-4-6-14/h13-17H,2-12,18H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63687931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).