N-butan-2-yl-3-methyl-N-propylpentan-3-amine

C13H29N — CID 138752395

IUPACN-butan-2-yl-3-methyl-N-propylpentan-3-amine
SMILESCCCN(C(C)CC)C(C)(CC)CC
InChIInChI=1S/C13H29N/c1-7-11-14(12(5)8-2)13(6,9-3)10-4/h12H,7-11H2,1-6H3
InChIKeyWTIPMZJNHIXIOR-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.08
Rot. Bonds7

About N-butan-2-yl-3-methyl-N-propylpentan-3-amine

N-butan-2-yl-3-methyl-N-propylpentan-3-amine (PubChem CID 138752395) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-N-propylpentan-3-amine
PubChem CID138752395
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-butan-2-yl-3-methyl-N-propylpentan-3-amine
SMILESCCCN(C(C)CC)C(C)(CC)CC
InChIInChI=1S/C13H29N/c1-7-11-14(12(5)8-2)13(6,9-3)10-4/h12H,7-11H2,1-6H3
InChIKeyWTIPMZJNHIXIOR-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butan-2-yl-3-methyl-N-propylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dipropylbutan-2-amine
CID 524229
N-tert-butyl-2,2-dimethyl-N-propylpentan-3-amine
CID 138738863
N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
CID 126624378
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 61352566
2-N-butan-2-yl-2-N,2-dimethyl-1-N-tritiobutane-1,2-diamine
CID 59909534
(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
CID 87799868
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 66180809
N-butyl-2-methyl-N-(2-methylbutan-2-yl)butan-2-amine
CID 139723099

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-N-propylpentan-3-amine?
The IUPAC name of N-butan-2-yl-3-methyl-N-propylpentan-3-amine (CID 138752395) is N-butan-2-yl-3-methyl-N-propylpentan-3-amine.
What is the SMILES notation for N-butan-2-yl-3-methyl-N-propylpentan-3-amine?
The canonical SMILES for N-butan-2-yl-3-methyl-N-propylpentan-3-amine is CCCN(C(C)CC)C(C)(CC)CC.
What is the InChIKey of N-butan-2-yl-3-methyl-N-propylpentan-3-amine?
The InChIKey is WTIPMZJNHIXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-11-14(12(5)8-2)13(6,9-3)10-4/h12H,7-11H2,1-6H3.
What are the key properties of N-butan-2-yl-3-methyl-N-propylpentan-3-amine?
N-butan-2-yl-3-methyl-N-propylpentan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 138752395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).