N-(3-methoxypropyl)-5-methylhexan-1-amine

C11H25NO — CID 115325588

IUPACN-(3-methoxypropyl)-5-methylhexan-1-amine
SMILESCOCCCNCCCCC(C)C
InChIInChI=1S/C11H25NO/c1-11(2)7-4-5-8-12-9-6-10-13-3/h11-12H,4-10H2,1-3H3
InChIKeyZGIUCZVWOTVPEU-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds9

About N-(3-methoxypropyl)-5-methylhexan-1-amine

N-(3-methoxypropyl)-5-methylhexan-1-amine (PubChem CID 115325588) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methylhexan-1-amine
PubChem CID115325588
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-methoxypropyl)-5-methylhexan-1-amine
SMILESCOCCCNCCCCC(C)C
InChIInChI=1S/C11H25NO/c1-11(2)7-4-5-8-12-9-6-10-13-3/h11-12H,4-10H2,1-3H3
InChIKeyZGIUCZVWOTVPEU-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
N-[2-(2-methoxyethylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62576986
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-methylhexan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-5-methylhexan-1-amine (CID 115325588) is N-(3-methoxypropyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-methylhexan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-methylhexan-1-amine is COCCCNCCCCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-5-methylhexan-1-amine?
The InChIKey is ZGIUCZVWOTVPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-11(2)7-4-5-8-12-9-6-10-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-5-methylhexan-1-amine?
N-(3-methoxypropyl)-5-methylhexan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 9 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-1-amine is sourced from PubChem (CID 115325588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).