N-(3-methoxybutan-2-yl)pentan-1-amine

C10H23NO — CID 115705771

IUPACN-(3-methoxybutan-2-yl)pentan-1-amine
SMILESCCCCCNC(C)C(C)OC
InChIInChI=1S/C10H23NO/c1-5-6-7-8-11-9(2)10(3)12-4/h9-11H,5-8H2,1-4H3
InChIKeyLIPWFLIGEKQNNJ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds7

About N-(3-methoxybutan-2-yl)pentan-1-amine

N-(3-methoxybutan-2-yl)pentan-1-amine (PubChem CID 115705771) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)pentan-1-amine
PubChem CID115705771
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(3-methoxybutan-2-yl)pentan-1-amine
SMILESCCCCCNC(C)C(C)OC
InChIInChI=1S/C10H23NO/c1-5-6-7-8-11-9(2)10(3)12-4/h9-11H,5-8H2,1-4H3
InChIKeyLIPWFLIGEKQNNJ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
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-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
CID 115705131
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-butyl-2-methoxypentan-3-amine
CID 123969283
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
methyl 2-methyl-3-(octylamino)butanoate
CID 115567614
N-(dichloromethyl)pentan-1-amine
CID 88509515
N-butyl-3-methylpentan-2-amine
CID 43200990

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)pentan-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)pentan-1-amine (CID 115705771) is N-(3-methoxybutan-2-yl)pentan-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)pentan-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)pentan-1-amine is CCCCCNC(C)C(C)OC.
What is the InChIKey of N-(3-methoxybutan-2-yl)pentan-1-amine?
The InChIKey is LIPWFLIGEKQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-6-7-8-11-9(2)10(3)12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(3-methoxybutan-2-yl)pentan-1-amine?
N-(3-methoxybutan-2-yl)pentan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 7 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)pentan-1-amine is sourced from PubChem (CID 115705771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).