N-(3-methoxypropyl)-3-methylbutan-2-amine

C9H21NO — CID 43205074

IUPACN-(3-methoxypropyl)-3-methylbutan-2-amine
SMILESCOCCCNC(C)C(C)C
InChIInChI=1S/C9H21NO/c1-8(2)9(3)10-6-5-7-11-4/h8-10H,5-7H2,1-4H3
InChIKeyHXOHQDKXHUXKHH-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds6

About N-(3-methoxypropyl)-3-methylbutan-2-amine

N-(3-methoxypropyl)-3-methylbutan-2-amine (PubChem CID 43205074) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methylbutan-2-amine
PubChem CID43205074
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(3-methoxypropyl)-3-methylbutan-2-amine
SMILESCOCCCNC(C)C(C)C
InChIInChI=1S/C9H21NO/c1-8(2)9(3)10-6-5-7-11-4/h8-10H,5-7H2,1-4H3
InChIKeyHXOHQDKXHUXKHH-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
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

5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
CID 103779817
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
CID 97307244
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine
CID 115705190
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82313612
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methylbutan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-3-methylbutan-2-amine (CID 43205074) is N-(3-methoxypropyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-methylbutan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-methylbutan-2-amine is COCCCNC(C)C(C)C.
What is the InChIKey of N-(3-methoxypropyl)-3-methylbutan-2-amine?
The InChIKey is HXOHQDKXHUXKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)9(3)10-6-5-7-11-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-3-methylbutan-2-amine?
N-(3-methoxypropyl)-3-methylbutan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methylbutan-2-amine is sourced from PubChem (CID 43205074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).