N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine

C14H30N2O2 — CID 79547698

IUPACN-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
SMILESCCOC(CNC1CCCN(CC)CC1)OCC
InChIInChI=1S/C14H30N2O2/c1-4-16-10-7-8-13(9-11-16)15-12-14(17-5-2)18-6-3/h13-15H,4-12H2,1-3H3
InChIKeyAJQQYYZDSNJKON-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.85
Rot. Bonds8

About N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine

N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine (PubChem CID 79547698) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
PubChem CID79547698
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
SMILESCCOC(CNC1CCCN(CC)CC1)OCC
InChIInChI=1S/C14H30N2O2/c1-4-16-10-7-8-13(9-11-16)15-12-14(17-5-2)18-6-3/h13-15H,4-12H2,1-3H3
InChIKeyAJQQYYZDSNJKON-UHFFFAOYSA-N
XLogP1.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
CID 79547423
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
N-(2,2-diethoxyethyl)-4-methoxycyclohexan-1-amine
CID 113414407
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine (CID 79547698) is N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine is CCOC(CNC1CCCN(CC)CC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine?
The InChIKey is AJQQYYZDSNJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-16-10-7-8-13(9-11-16)15-12-14(17-5-2)18-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine?
N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine has a molecular weight of 258.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 79547698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).