1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine

C12H26N2 — CID 65045613

IUPAC1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
SMILESCCC(C)N(C)C1(CN)CCCC1C
InChIInChI=1S/C12H26N2/c1-5-11(3)14(4)12(9-13)8-6-7-10(12)2/h10-11H,5-9,13H2,1-4H3
InChIKeyVMGFWEMGRMGDJK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds4

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

1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine (PubChem CID 65045613) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
PubChem CID65045613
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
SMILESCCC(C)N(C)C1(CN)CCCC1C
InChIInChI=1S/C12H26N2/c1-5-11(3)14(4)12(9-13)8-6-7-10(12)2/h10-11H,5-9,13H2,1-4H3
InChIKeyVMGFWEMGRMGDJK-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine (CID 65045613) is 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine is CCC(C)N(C)C1(CN)CCCC1C.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is VMGFWEMGRMGDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(3)14(4)12(9-13)8-6-7-10(12)2/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 65045613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).