2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine

C19H39NO — CID 63476269

IUPAC2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
SMILESCCCCCCCCOC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-13-16-21-19(14-11-10-12-15-19)17-20-18(2,3)4/h20H,5-17H2,1-4H3
InChIKeyNKRQONLVYQHFJR-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.45
Rot. Bonds10

About 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine

2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine (PubChem CID 63476269) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
PubChem CID63476269
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
SMILESCCCCCCCCOC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-13-16-21-19(14-11-10-12-15-19)17-20-18(2,3)4/h20H,5-17H2,1-4H3
InChIKeyNKRQONLVYQHFJR-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 62108400
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
1-heptoxycycloheptan-1-ol
CID 175442996
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
CID 103273327

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine (CID 63476269) is 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine is CCCCCCCCOC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine?
The InChIKey is NKRQONLVYQHFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-6-7-8-9-13-16-21-19(14-11-10-12-15-19)17-20-18(2,3)4/h20H,5-17H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine?
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine has a molecular weight of 297.53 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 63476269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).