N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine

C15H32N2 — CID 104689524

IUPACN-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CCCCCN1CCCNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-5-14-10-7-6-8-12-17(14)13-9-11-16-15(2,3)4/h14,16H,5-13H2,1-4H3
InChIKeyADXFHULLIKJUEX-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds5

About N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 104689524) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID104689524
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CCCCCN1CCCNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-5-14-10-7-6-8-12-17(14)13-9-11-16-15(2,3)4/h14,16H,5-13H2,1-4H3
InChIKeyADXFHULLIKJUEX-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 106809860
1-dodecyl-2-ethylpiperidine
CID 171569899
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine (CID 104689524) is N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine is CCC1CCCCCN1CCCNC(C)(C)C.
What is the InChIKey of N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is ADXFHULLIKJUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-14-10-7-6-8-12-17(14)13-9-11-16-15(2,3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104689524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).