N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine

C13H29N — CID 59980738

IUPACN-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
SMILESCCCCCCN(CC(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-6-7-8-9-10-14(13(4)5)11-12(2)3/h12-13H,6-11H2,1-5H3
InChIKeyQQTPRNBDFUYXLL-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.93
Rot. Bonds8

About N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine

N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine (PubChem CID 59980738) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
PubChem CID59980738
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
SMILESCCCCCCN(CC(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-6-7-8-9-10-14(13(4)5)11-12(2)3/h12-13H,6-11H2,1-5H3
InChIKeyQQTPRNBDFUYXLL-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-methyl-N-(3-pentoxypropyl)-N-propan-2-ylpropan-1-amine
CID 167156460
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 123350796
1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561466
1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561467
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine (CID 59980738) is N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine is CCCCCCN(CC(C)C)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is QQTPRNBDFUYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-7-8-9-10-14(13(4)5)11-12(2)3/h12-13H,6-11H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 59980738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).