N-(3-methylbutyl)octan-1-amine

C13H29N — CID 43085639

IUPACN-(3-methylbutyl)octan-1-amine
SMILESCCCCCCCCNCCC(C)C
InChIInChI=1S/C13H29N/c1-4-5-6-7-8-9-11-14-12-10-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyXMGKHWKDNIXPDH-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds10

About N-(3-methylbutyl)octan-1-amine

N-(3-methylbutyl)octan-1-amine (PubChem CID 43085639) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-(3-methylbutyl)octan-1-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)octan-1-amine
PubChem CID43085639
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-(3-methylbutyl)octan-1-amine
SMILESCCCCCCCCNCCC(C)C
InChIInChI=1S/C13H29N/c1-4-5-6-7-8-9-11-14-12-10-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyXMGKHWKDNIXPDH-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
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

Bis(2-ethylhexyl)amine
CID 7791
Dioctylamine
CID 3094
Octamylamine
CID 10406
Dihexylamine
CID 8920
Ditridecylamine
CID 22200
Octylmethylamine
CID 75538
Iproheptine
CID 19917
N-Methyl-1-dodecanamine
CID 81746
Diisoamylamine
CID 10988
Didodecylamine
CID 18157
Diheptylamine
CID 75580
Dimyristylamine
CID 87077

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)octan-1-amine?
The IUPAC name of N-(3-methylbutyl)octan-1-amine (CID 43085639) is N-(3-methylbutyl)octan-1-amine.
What is the SMILES notation for N-(3-methylbutyl)octan-1-amine?
The canonical SMILES for N-(3-methylbutyl)octan-1-amine is CCCCCCCCNCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)octan-1-amine?
The InChIKey is XMGKHWKDNIXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-4-5-6-7-8-9-11-14-12-10-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-(3-methylbutyl)octan-1-amine?
N-(3-methylbutyl)octan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)octan-1-amine is sourced from PubChem (CID 43085639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).