N-(3-methoxypropyl)-5-methylhexan-2-amine

C11H25NO — CID 43205131

IUPACN-(3-methoxypropyl)-5-methylhexan-2-amine
SMILESCOCCCNC(C)CCC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)6-7-11(3)12-8-5-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyXELZQOMPHPREOF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About N-(3-methoxypropyl)-5-methylhexan-2-amine

N-(3-methoxypropyl)-5-methylhexan-2-amine (PubChem CID 43205131) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methylhexan-2-amine
PubChem CID43205131
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-methoxypropyl)-5-methylhexan-2-amine
SMILESCOCCCNC(C)CCC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)6-7-11(3)12-8-5-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyXELZQOMPHPREOF-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
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-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine
CID 115705190
1-methoxy-4-(5-methylhexan-2-ylamino)butan-2-ol
CID 115897174
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-methylhexan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-methylhexan-2-amine (CID 43205131) is N-(3-methoxypropyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-methylhexan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-methylhexan-2-amine is COCCCNC(C)CCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-5-methylhexan-2-amine?
The InChIKey is XELZQOMPHPREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)6-7-11(3)12-8-5-9-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-5-methylhexan-2-amine?
N-(3-methoxypropyl)-5-methylhexan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-methylhexan-2-amine is sourced from PubChem (CID 43205131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).