1-(cyclopropylmethyl)cyclohexane-1,3-diamine

C10H20N2 — CID 66869900

IUPAC1-(cyclopropylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(N)(CC2CC2)C1
InChIInChI=1S/C10H20N2/c11-9-2-1-5-10(12,7-9)6-8-3-4-8/h8-9H,1-7,11-12H2
InChIKeyBNXMYEBFYQVUFN-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.39
Rot. Bonds2

About 1-(cyclopropylmethyl)cyclohexane-1,3-diamine

1-(cyclopropylmethyl)cyclohexane-1,3-diamine (PubChem CID 66869900) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)cyclohexane-1,3-diamine
PubChem CID66869900
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(cyclopropylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(N)(CC2CC2)C1
InChIInChI=1S/C10H20N2/c11-9-2-1-5-10(12,7-9)6-8-3-4-8/h8-9H,1-7,11-12H2
InChIKeyBNXMYEBFYQVUFN-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
3-amino-1-(cyclopentylmethyl)cyclohexan-1-ol
CID 80562099
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
1-[(1-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 115074013
1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 115074068
1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 130515407
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724
3-iodo-3-methylcyclohexan-1-amine
CID 156750072
3-(cyclobutylmethyl)-1-methylpiperidin-3-amine
CID 84658746

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-(cyclopropylmethyl)cyclohexane-1,3-diamine (CID 66869900) is 1-(cyclopropylmethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-(cyclopropylmethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-(cyclopropylmethyl)cyclohexane-1,3-diamine is NC1CCCC(N)(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)cyclohexane-1,3-diamine?
The InChIKey is BNXMYEBFYQVUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-9-2-1-5-10(12,7-9)6-8-3-4-8/h8-9H,1-7,11-12H2.
What are the key properties of 1-(cyclopropylmethyl)cyclohexane-1,3-diamine?
1-(cyclopropylmethyl)cyclohexane-1,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 66869900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).