N-(3-butoxypropyl)-2-methylpentan-3-amine

C13H29NO — CID 115704440

IUPACN-(3-butoxypropyl)-2-methylpentan-3-amine
SMILESCCCCOCCCNC(CC)C(C)C
InChIInChI=1S/C13H29NO/c1-5-7-10-15-11-8-9-14-13(6-2)12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyHMUMJVOSRJJGBF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About N-(3-butoxypropyl)-2-methylpentan-3-amine

N-(3-butoxypropyl)-2-methylpentan-3-amine (PubChem CID 115704440) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-methylpentan-3-amine
PubChem CID115704440
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(3-butoxypropyl)-2-methylpentan-3-amine
SMILESCCCCOCCCNC(CC)C(C)C
InChIInChI=1S/C13H29NO/c1-5-7-10-15-11-8-9-14-13(6-2)12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyHMUMJVOSRJJGBF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
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,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N-(3-propoxypropyl)butan-2-amine
CID 62715458
N-(3-chloropropyl)-2-methylpentan-3-amine
CID 88742060
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-methylpentan-3-amine?
The IUPAC name of N-(3-butoxypropyl)-2-methylpentan-3-amine (CID 115704440) is N-(3-butoxypropyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(3-butoxypropyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(3-butoxypropyl)-2-methylpentan-3-amine is CCCCOCCCNC(CC)C(C)C.
What is the InChIKey of N-(3-butoxypropyl)-2-methylpentan-3-amine?
The InChIKey is HMUMJVOSRJJGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-7-10-15-11-8-9-14-13(6-2)12(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-(3-butoxypropyl)-2-methylpentan-3-amine?
N-(3-butoxypropyl)-2-methylpentan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-methylpentan-3-amine is sourced from PubChem (CID 115704440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).