N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine

C14H29N3 — CID 66181851

IUPACN-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine
SMILESCCN(C1CCCN(C(C)C)CC1)C1CNC1
InChIInChI=1S/C14H29N3/c1-4-17(14-10-15-11-14)13-6-5-8-16(9-7-13)12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyDHSLDJNSEQBPQR-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine

N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine (PubChem CID 66181851) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine
PubChem CID66181851
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine
SMILESCCN(C1CCCN(C(C)C)CC1)C1CNC1
InChIInChI=1S/C14H29N3/c1-4-17(14-10-15-11-14)13-6-5-8-16(9-7-13)12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyDHSLDJNSEQBPQR-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
CID 65077931
N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine
CID 66181848
N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine
CID 65077288
N-ethyl-N-(4-methylcycloheptyl)azetidin-3-amine
CID 66181660
N-ethyl-N-(3-methylcyclohexyl)azetidin-3-amine
CID 66182084
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
(3R)-N-ethyl-N-methyl-1-propan-2-ylpiperidin-3-amine
CID 164856684
N-cyclohexyl-N-ethyl-5-methylpiperidin-3-amine
CID 115373345
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine (CID 66181851) is N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine is CCN(C1CCCN(C(C)C)CC1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine?
The InChIKey is DHSLDJNSEQBPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-17(14-10-15-11-14)13-6-5-8-16(9-7-13)12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine?
N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 66181851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).