3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine

C13H29N — CID 102904025

IUPAC3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
SMILESCCC(CC)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-7-12(8-2)14-9-13(10(3)4)11(5)6/h10-14H,7-9H2,1-6H3
InChIKeyNGZUWDHDKGSSMP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds7

About 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine

3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine (PubChem CID 102904025) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
PubChem CID102904025
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
SMILESCCC(CC)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-7-12(8-2)14-9-13(10(3)4)11(5)6/h10-14H,7-9H2,1-6H3
InChIKeyNGZUWDHDKGSSMP-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
propane;N-propan-2-ylpentan-3-amine
CID 144761250
N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
CID 62579088
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 115714146
N-[2-(2-methoxyethoxy)propyl]pentan-3-amine
CID 62567271
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
CID 58693175

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine (CID 102904025) is 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine is CCC(CC)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine?
The InChIKey is NGZUWDHDKGSSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-12(8-2)14-9-13(10(3)4)11(5)6/h10-14H,7-9H2,1-6H3.
What are the key properties of 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine?
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).