1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine

C16H28N2O — CID 64762726

IUPAC1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
SMILESCc1occc1CN(C)C1(CN)CC(C)CCC1C
InChIInChI=1S/C16H28N2O/c1-12-5-6-13(2)16(9-12,11-17)18(4)10-15-7-8-19-14(15)3/h7-8,12-13H,5-6,9-11,17H2,1-4H3
InChIKeyKMQNLWJHERYPRC-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.17
Rot. Bonds4

About 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine (PubChem CID 64762726) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
PubChem CID64762726
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
SMILESCc1occc1CN(C)C1(CN)CC(C)CCC1C
InChIInChI=1S/C16H28N2O/c1-12-5-6-13(2)16(9-12,11-17)18(4)10-15-7-8-19-14(15)3/h7-8,12-13H,5-6,9-11,17H2,1-4H3
InChIKeyKMQNLWJHERYPRC-UHFFFAOYSA-N
XLogP3.17
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine (CID 64762726) is 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine is Cc1occc1CN(C)C1(CN)CC(C)CCC1C.
What is the InChIKey of 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is KMQNLWJHERYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-5-6-13(2)16(9-12,11-17)18(4)10-15-7-8-19-14(15)3/h7-8,12-13H,5-6,9-11,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64762726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).