2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine

C14H28N2 — CID 63955967

IUPAC2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(CC)CC2CC2)C1
InChIInChI=1S/C14H28N2/c1-3-11-7-8-13(15)14(9-11)16(4-2)10-12-5-6-12/h11-14H,3-10,15H2,1-2H3
InChIKeySNSPNTIRLUECBP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds5

About 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine (PubChem CID 63955967) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
PubChem CID63955967
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(CC)CC2CC2)C1
InChIInChI=1S/C14H28N2/c1-3-11-7-8-13(15)14(9-11)16(4-2)10-12-5-6-12/h11-14H,3-10,15H2,1-2H3
InChIKeySNSPNTIRLUECBP-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 43265755
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
CID 61440402
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcyclobutan-1-amine
CID 81004788
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
1,3-diethylcyclopentane
CID 530396
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 107401528

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine (CID 63955967) is 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine is CCC1CCC(N)C(N(CC)CC2CC2)C1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine?
The InChIKey is SNSPNTIRLUECBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-11-7-8-13(15)14(9-11)16(4-2)10-12-5-6-12/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine is sourced from PubChem (CID 63955967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).