1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine

C14H30N2 — CID 65045048

IUPAC1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
SMILESCC(N(C)C1(CN)CCCC1C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-11-8-7-9-14(11,10-15)16(6)12(2)13(3,4)5/h11-12H,7-10,15H2,1-6H3
InChIKeyDEUIAXFGNWRUFP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds3

About 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine

1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 65045048) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
PubChem CID65045048
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
SMILESCC(N(C)C1(CN)CCCC1C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-11-8-7-9-14(11,10-15)16(6)12(2)13(3,4)5/h11-12H,7-10,15H2,1-6H3
InChIKeyDEUIAXFGNWRUFP-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-N,2-dimethyl-N-(2-methylbutan-2-yl)cyclopentan-1-amine
CID 65045429
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65045165
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclopentan-1-amine
CID 65044842
1-(aminomethyl)-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 65044747
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine (CID 65045048) is 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine is CC(N(C)C1(CN)CCCC1C)C(C)(C)C.
What is the InChIKey of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is DEUIAXFGNWRUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11-8-7-9-14(11,10-15)16(6)12(2)13(3,4)5/h11-12H,7-10,15H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine?
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 65045048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).