N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine

C14H23NO — CID 103753029

IUPACN-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1CNCC1(C)CCCCC1
InChIInChI=1S/C14H23NO/c1-12-6-9-16-13(12)10-15-11-14(2)7-4-3-5-8-14/h6,9,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyOMNIRIGLYQFKBP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.65
Rot. Bonds4

About N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine

N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine (PubChem CID 103753029) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
PubChem CID103753029
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1CNCC1(C)CCCCC1
InChIInChI=1S/C14H23NO/c1-12-6-9-16-13(12)10-15-11-14(2)7-4-3-5-8-14/h6,9,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyOMNIRIGLYQFKBP-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine (CID 103753029) is N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine is Cc1ccoc1CNCC1(C)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is OMNIRIGLYQFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-6-9-16-13(12)10-15-11-14(2)7-4-3-5-8-14/h6,9,15H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 103753029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).