N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine

C26H53NO — CID 168924384

IUPACN-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine
SMILESCCCCCCCCCN(CCCCCCCCC)CC1CCC(OC)CC1
InChIInChI=1S/C26H53NO/c1-4-6-8-10-12-14-16-22-27(23-17-15-13-11-9-7-5-2)24-25-18-20-26(28-3)21-19-25/h25-26H,4-24H2,1-3H3
InChIKeyIYRLAZNIOMESNC-UHFFFAOYSA-N
MW395.72 g/mol
LogP7.99
Rot. Bonds19

About N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine

N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine (PubChem CID 168924384) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine
PubChem CID168924384
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine
SMILESCCCCCCCCCN(CCCCCCCCC)CC1CCC(OC)CC1
InChIInChI=1S/C26H53NO/c1-4-6-8-10-12-14-16-22-27(23-17-15-13-11-9-7-5-2)24-25-18-20-26(28-3)21-19-25/h25-26H,4-24H2,1-3H3
InChIKeyIYRLAZNIOMESNC-UHFFFAOYSA-N
XLogP7.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-Fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
CID 171598511
ethane;2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
CID 176558044
4-[[Ethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 20707711
Cyclohexylmethyl-ethyl-(5-methoxypentyl)-methylazanium
CID 57932037
1-Ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane
CID 58552418
6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine
CID 70021760
5-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylpentan-1-amine
CID 70022562
4-(Diethylaminomethyl)cyclohexan-1-ol
CID 90930897
N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine
CID 90953868
1-[2-(4-Methoxycyclohexyl)ethyl]-4-propylpiperazine
CID 124199143
1-Methyl-3-(tridecan-6-yloxymethyl)piperidine
CID 129119819
1-Methyl-3-(nonan-4-yloxymethyl)piperidine
CID 137470592

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine?
The IUPAC name of N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine (CID 168924384) is N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine.
What is the SMILES notation for N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine?
The canonical SMILES for N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine is CCCCCCCCCN(CCCCCCCCC)CC1CCC(OC)CC1.
What is the InChIKey of N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine?
The InChIKey is IYRLAZNIOMESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-4-6-8-10-12-14-16-22-27(23-17-15-13-11-9-7-5-2)24-25-18-20-26(28-3)21-19-25/h25-26H,4-24H2,1-3H3.
What are the key properties of N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine?
N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine has a molecular weight of 395.72 g/mol, XLogP of 7.99, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine is sourced from PubChem (CID 168924384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).