N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine

C17H34N2 — CID 54196877

IUPACN-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine
SMILESCCC(C1CCCC(NC)C1)C1CCCC(NC)C1
InChIInChI=1S/C17H34N2/c1-4-17(13-7-5-9-15(11-13)18-2)14-8-6-10-16(12-14)19-3/h13-19H,4-12H2,1-3H3
InChIKeyPMLDFEQMORJHSB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.57
Rot. Bonds5

About N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine

N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine (PubChem CID 54196877) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine
PubChem CID54196877
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine
SMILESCCC(C1CCCC(NC)C1)C1CCCC(NC)C1
InChIInChI=1S/C17H34N2/c1-4-17(13-7-5-9-15(11-13)18-2)14-8-6-10-16(12-14)19-3/h13-19H,4-12H2,1-3H3
InChIKeyPMLDFEQMORJHSB-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine (CID 54196877) is N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine is CCC(C1CCCC(NC)C1)C1CCCC(NC)C1.
What is the InChIKey of N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine?
The InChIKey is PMLDFEQMORJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-17(13-7-5-9-15(11-13)18-2)14-8-6-10-16(12-14)19-3/h13-19H,4-12H2,1-3H3.
What are the key properties of N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine?
N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine is sourced from PubChem (CID 54196877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).