1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine

C17H36N2 — CID 106663071

IUPAC1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
SMILESCCCCN(C(C)CC)C1(CN)CC(C)(C)CC1C
InChIInChI=1S/C17H36N2/c1-7-9-10-19(15(4)8-2)17(13-18)12-16(5,6)11-14(17)3/h14-15H,7-13,18H2,1-6H3
InChIKeyFEBGTYXADUAVSQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.04
Rot. Bonds7

About 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine

1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106663071) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106663071
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
SMILESCCCCN(C(C)CC)C1(CN)CC(C)(C)CC1C
InChIInChI=1S/C17H36N2/c1-7-9-10-19(15(4)8-2)17(13-18)12-16(5,6)11-14(17)3/h14-15H,7-13,18H2,1-6H3
InChIKeyFEBGTYXADUAVSQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.04
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-butyl-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine (CID 106663071) is 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine is CCCCN(C(C)CC)C1(CN)CC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is FEBGTYXADUAVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-9-10-19(15(4)8-2)17(13-18)12-16(5,6)11-14(17)3/h14-15H,7-13,18H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.04, 7 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-butyl-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106663071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).