N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine

C13H29NO2 — CID 173044621

IUPACN-butyl-N-(1,1-dimethoxypropyl)butan-1-amine
SMILESCCCCN(CCCC)C(CC)(OC)OC
InChIInChI=1S/C13H29NO2/c1-6-9-11-14(12-10-7-2)13(8-3,15-4)16-5/h6-12H2,1-5H3
InChIKeyGOJYWWKBFYBGTL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.25
Rot. Bonds10

About N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine

N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine (PubChem CID 173044621) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(1,1-dimethoxypropyl)butan-1-amine
PubChem CID173044621
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-butyl-N-(1,1-dimethoxypropyl)butan-1-amine
SMILESCCCCN(CCCC)C(CC)(OC)OC
InChIInChI=1S/C13H29NO2/c1-6-9-11-14(12-10-7-2)13(8-3,15-4)16-5/h6-12H2,1-5H3
InChIKeyGOJYWWKBFYBGTL-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N,5-tributylnonan-5-amine
CID 175088572
2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N,N-dibutyl-5-propylnonan-5-amine
CID 141372550
2-methoxy-2-methylpropane;pentane
CID 22145886
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
N-butyl-N-propyl-1,1-bis(trimethoxysilyl)ethane-1,2-diamine
CID 140821445
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
N-butyl-N-tert-butylsulfanylbutan-1-amine
CID 3028251
N-butyl-2-methyl-N-(2-methylbutan-2-yl)butan-2-amine
CID 139723099
[1-(dibutylamino)-1-hydroxypropyl] acetate;ethoxyethane
CID 87844456

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine?
The IUPAC name of N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine (CID 173044621) is N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine is CCCCN(CCCC)C(CC)(OC)OC.
What is the InChIKey of N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine?
The InChIKey is GOJYWWKBFYBGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-9-11-14(12-10-7-2)13(8-3,15-4)16-5/h6-12H2,1-5H3.
What are the key properties of N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine?
N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine is sourced from PubChem (CID 173044621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).