N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine

C12H27N3 — CID 65045165

IUPACN'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC1CCCC1(CN)N(C)CCN(C)C
InChIInChI=1S/C12H27N3/c1-11-6-5-7-12(11,10-13)15(4)9-8-14(2)3/h11H,5-10,13H2,1-4H3
InChIKeyBZWBTRQFKGWBJH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 65045165) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID65045165
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC1CCCC1(CN)N(C)CCN(C)C
InChIInChI=1S/C12H27N3/c1-11-6-5-7-12(11,10-13)15(4)9-8-14(2)3/h11H,5-10,13H2,1-4H3
InChIKeyBZWBTRQFKGWBJH-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701
1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine
CID 65045108
1-(aminomethyl)-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 65044747
1-(aminomethyl)-N,2-dimethyl-N-(2-methylbutan-2-yl)cyclopentan-1-amine
CID 65045429
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65045048
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 63725587
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
1-(aminomethyl)-N-butyl-N-cyclopropyl-2-methylcyclopentan-1-amine
CID 65044786
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 65045314

Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine (CID 65045165) is N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine is CC1CCCC1(CN)N(C)CCN(C)C.
What is the InChIKey of N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BZWBTRQFKGWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11-6-5-7-12(11,10-13)15(4)9-8-14(2)3/h11H,5-10,13H2,1-4H3.
What are the key properties of N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 65045165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).