2-propan-2-yl-N-propylheptan-1-amine

C13H29N — CID 63521498

IUPAC2-propan-2-yl-N-propylheptan-1-amine
SMILESCCCCCC(CNCCC)C(C)C
InChIInChI=1S/C13H29N/c1-5-7-8-9-13(12(3)4)11-14-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyHLLCDXHIIGETKK-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds9

About 2-propan-2-yl-N-propylheptan-1-amine

2-propan-2-yl-N-propylheptan-1-amine (PubChem CID 63521498) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-propan-2-yl-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-propylheptan-1-amine
PubChem CID63521498
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-propan-2-yl-N-propylheptan-1-amine
SMILESCCCCCC(CNCCC)C(C)C
InChIInChI=1S/C13H29N/c1-5-7-8-9-13(12(3)4)11-14-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyHLLCDXHIIGETKK-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
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

N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
(2S)-2-butan-2-yl-N-propylheptan-1-amine
CID 164875858
N-ethyl-2-propan-2-yldodecan-1-amine
CID 63521323
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675
5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
CID 63522931
6-propan-2-yltridecane
CID 123704479
8-propan-2-ylpentadecane
CID 153475308
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296
3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine
CID 88921962
1-(propylamino)hexadecan-2-ol
CID 88695975

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-propylheptan-1-amine?
The IUPAC name of 2-propan-2-yl-N-propylheptan-1-amine (CID 63521498) is 2-propan-2-yl-N-propylheptan-1-amine.
What is the SMILES notation for 2-propan-2-yl-N-propylheptan-1-amine?
The canonical SMILES for 2-propan-2-yl-N-propylheptan-1-amine is CCCCCC(CNCCC)C(C)C.
What is the InChIKey of 2-propan-2-yl-N-propylheptan-1-amine?
The InChIKey is HLLCDXHIIGETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-7-8-9-13(12(3)4)11-14-10-6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-propan-2-yl-N-propylheptan-1-amine?
2-propan-2-yl-N-propylheptan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-propylheptan-1-amine is sourced from PubChem (CID 63521498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).