N-(5-methoxypentyl)-2-methylpentan-1-amine

C12H27NO — CID 103920788

IUPACN-(5-methoxypentyl)-2-methylpentan-1-amine
SMILESCCCC(C)CNCCCCCOC
InChIInChI=1S/C12H27NO/c1-4-8-12(2)11-13-9-6-5-7-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyLCTZSEJAHRBDRO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds10

About N-(5-methoxypentyl)-2-methylpentan-1-amine

N-(5-methoxypentyl)-2-methylpentan-1-amine (PubChem CID 103920788) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(5-methoxypentyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-2-methylpentan-1-amine
PubChem CID103920788
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(5-methoxypentyl)-2-methylpentan-1-amine
SMILESCCCC(C)CNCCCCCOC
InChIInChI=1S/C12H27NO/c1-4-8-12(2)11-13-9-6-5-7-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyLCTZSEJAHRBDRO-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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

7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
N-(3-iodopropyl)-2-methylpentan-1-amine
CID 114503597
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-2-methylpentan-1-amine?
The IUPAC name of N-(5-methoxypentyl)-2-methylpentan-1-amine (CID 103920788) is N-(5-methoxypentyl)-2-methylpentan-1-amine.
What is the SMILES notation for N-(5-methoxypentyl)-2-methylpentan-1-amine?
The canonical SMILES for N-(5-methoxypentyl)-2-methylpentan-1-amine is CCCC(C)CNCCCCCOC.
What is the InChIKey of N-(5-methoxypentyl)-2-methylpentan-1-amine?
The InChIKey is LCTZSEJAHRBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-8-12(2)11-13-9-6-5-7-10-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(5-methoxypentyl)-2-methylpentan-1-amine?
N-(5-methoxypentyl)-2-methylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-2-methylpentan-1-amine is sourced from PubChem (CID 103920788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).