N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine

C18H39N3 — CID 102992110

IUPACN'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1(CN)CCCC(C)(C)C1
InChIInChI=1S/C18H39N3/c1-6-20(7-2)13-10-14-21(8-3)18(16-19)12-9-11-17(4,5)15-18/h6-16,19H2,1-5H3
InChIKeyWRJWLWIIOHSCRZ-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.34
Rot. Bonds9

About N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992110) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992110
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1(CN)CCCC(C)(C)C1
InChIInChI=1S/C18H39N3/c1-6-20(7-2)13-10-14-21(8-3)18(16-19)12-9-11-17(4,5)15-18/h6-16,19H2,1-5H3
InChIKeyWRJWLWIIOHSCRZ-UHFFFAOYSA-N
XLogP3.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992105
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682311
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992122
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
CID 107702972

Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992110) is N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)C1(CN)CCCC(C)(C)C1.
What is the InChIKey of N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is WRJWLWIIOHSCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-6-20(7-2)13-10-14-21(8-3)18(16-19)12-9-11-17(4,5)15-18/h6-16,19H2,1-5H3.
What are the key properties of N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).