2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine

C12H27N — CID 138459549

IUPAC2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
SMILESCCCC(C)(C)CNCCC(C)C
InChIInChI=1S/C12H27N/c1-6-8-12(4,5)10-13-9-7-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyKYHHKAQDJYQZSP-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine

2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine (PubChem CID 138459549) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
PubChem CID138459549
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
SMILESCCCC(C)(C)CNCCC(C)C
InChIInChI=1S/C12H27N/c1-6-8-12(4,5)10-13-9-7-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyKYHHKAQDJYQZSP-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 62725135
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
N-(2,2-dimethylbutyl)-2,2-dimethylpentan-1-amine
CID 88877913
2,2,5-trimethyl-N-propylhexane-1,6-diamine
CID 19427160
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
1-N-(2,2-dimethylbutyl)butane-1,3-diamine
CID 103462116
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
CID 158014469
2,2-dimethyl-N-(2-piperidin-4-ylethyl)pentan-1-amine
CID 115211733

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine (CID 138459549) is 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine is CCCC(C)(C)CNCCC(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
The InChIKey is KYHHKAQDJYQZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-8-12(4,5)10-13-9-7-11(2)3/h11,13H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine is sourced from PubChem (CID 138459549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).