N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine

C14H31NO — CID 115705131

IUPACN-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
SMILESCOC(C)C(C)NCCCCCCC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)10-8-6-7-9-11-15-13(3)14(4)16-5/h12-15H,6-11H2,1-5H3
InChIKeyYBDCBKLGYNPREA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds10

About N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine

N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine (PubChem CID 115705131) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
PubChem CID115705131
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
SMILESCOC(C)C(C)NCCCCCCC(C)C
InChIInChI=1S/C14H31NO/c1-12(2)10-8-6-7-9-11-15-13(3)14(4)16-5/h12-15H,6-11H2,1-5H3
InChIKeyYBDCBKLGYNPREA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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

N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
2-methoxy-3,7-dimethyloctane
CID 174760883
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
12-methyl-N-(12-methyltridecylamino)oxytridecan-1-amine
CID 88780300
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
N,6-dimethylheptan-1-amine;ethane
CID 169159475

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine (CID 115705131) is N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine is COC(C)C(C)NCCCCCCC(C)C.
What is the InChIKey of N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine?
The InChIKey is YBDCBKLGYNPREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)10-8-6-7-9-11-15-13(3)14(4)16-5/h12-15H,6-11H2,1-5H3.
What are the key properties of N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine?
N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine is sourced from PubChem (CID 115705131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).