1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine

C16H28N2O — CID 106663030

IUPAC1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CC(C)(C)CC1C
InChIInChI=1S/C16H28N2O/c1-5-18(10-14-7-6-8-19-14)16(12-17)11-15(3,4)9-13(16)2/h6-8,13H,5,9-12,17H2,1-4H3
InChIKeyWQEPKYSJPQVKGI-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.26
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106663030) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106663030
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCCN(Cc1ccco1)C1(CN)CC(C)(C)CC1C
InChIInChI=1S/C16H28N2O/c1-5-18(10-14-7-6-8-19-14)16(12-17)11-15(3,4)9-13(16)2/h6-8,13H,5,9-12,17H2,1-4H3
InChIKeyWQEPKYSJPQVKGI-UHFFFAOYSA-N
XLogP3.26
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N,4-diethyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65088021
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
2-[ethyl(furan-2-ylmethyl)amino]cyclohexan-1-ol
CID 61423026
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
1-(aminomethyl)-N-cyclopentyl-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 115452816
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62392008
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine (CID 106663030) is 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine is CCN(Cc1ccco1)C1(CN)CC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is WQEPKYSJPQVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(10-14-7-6-8-19-14)16(12-17)11-15(3,4)9-13(16)2/h6-8,13H,5,9-12,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine?
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106663030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).