N-[2-(azepan-1-yl)ethyl]cyclopropanamine

C11H22N2 — CID 54773126

IUPACN-[2-(azepan-1-yl)ethyl]cyclopropanamine
SMILESC1CCCN(CCNC2CC2)CC1
InChIInChI=1S/C11H22N2/c1-2-4-9-13(8-3-1)10-7-12-11-5-6-11/h11-12H,1-10H2
InChIKeyAKUNCHWSURLTMJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]cyclopropanamine

N-[2-(azepan-1-yl)ethyl]cyclopropanamine (PubChem CID 54773126) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]cyclopropanamine
PubChem CID54773126
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[2-(azepan-1-yl)ethyl]cyclopropanamine
SMILESC1CCCN(CCNC2CC2)CC1
InChIInChI=1S/C11H22N2/c1-2-4-9-13(8-3-1)10-7-12-11-5-6-11/h11-12H,1-10H2
InChIKeyAKUNCHWSURLTMJ-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
4-tert-butyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 742513
N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
CID 63455790
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]cyclopropanamine (CID 54773126) is N-[2-(azepan-1-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]cyclopropanamine is C1CCCN(CCNC2CC2)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]cyclopropanamine?
The InChIKey is AKUNCHWSURLTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-4-9-13(8-3-1)10-7-12-11-5-6-11/h11-12H,1-10H2.
What are the key properties of N-[2-(azepan-1-yl)ethyl]cyclopropanamine?
N-[2-(azepan-1-yl)ethyl]cyclopropanamine has a molecular weight of 182.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 54773126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).