N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine

C17H36N2O — CID 70021047

IUPACN-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine
SMILESCCCCCN(C)CCCCOC1CCC(NC)CC1
InChIInChI=1S/C17H36N2O/c1-4-5-6-13-19(3)14-7-8-15-20-17-11-9-16(18-2)10-12-17/h16-18H,4-15H2,1-3H3
InChIKeyQMUYMENFBMZIAA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.44
Rot. Bonds11

About N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine

N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine (PubChem CID 70021047) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine
PubChem CID70021047
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine
SMILESCCCCCN(C)CCCCOC1CCC(NC)CC1
InChIInChI=1S/C17H36N2O/c1-4-5-6-13-19(3)14-7-8-15-20-17-11-9-16(18-2)10-12-17/h16-18H,4-15H2,1-3H3
InChIKeyQMUYMENFBMZIAA-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 54593058
CID 54593058
CID 84115750
CID 84115750
CID 22224980
CID 22224980
CID 169839184
CID 169839184
CID 169839185
CID 169839185
CID 104454238
CID 104454238
CID 104454490
CID 104454490
CID 104454589
CID 104454589
CID 104454655
CID 104454655
CID 104454666
CID 104454666
CID 104454737
CID 104454737
CID 104454822
CID 104454822

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine (CID 70021047) is N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine is CCCCCN(C)CCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine?
The InChIKey is QMUYMENFBMZIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-5-6-13-19(3)14-7-8-15-20-17-11-9-16(18-2)10-12-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine?
N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[methyl(pentyl)amino]butoxy]cyclohexan-1-amine is sourced from PubChem (CID 70021047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).