N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine

C10H20N2O — CID 62987458

IUPACN-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
SMILESC1COCCN(CCNC2CC2)C1
InChIInChI=1S/C10H20N2O/c1-5-12(7-9-13-8-1)6-4-11-10-2-3-10/h10-11H,1-9H2
InChIKeyBSEWFRGBMXZHCD-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine

N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine (PubChem CID 62987458) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
PubChem CID62987458
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
SMILESC1COCCN(CCNC2CC2)C1
InChIInChI=1S/C10H20N2O/c1-5-12(7-9-13-8-1)6-4-11-10-2-3-10/h10-11H,1-9H2
InChIKeyBSEWFRGBMXZHCD-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
CID 62972668
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 61016051
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
3-methyl-N-(2-morpholin-4-ylethyl)cyclopentan-1-amine
CID 23767314
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine (CID 62987458) is N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine is C1COCCN(CCNC2CC2)C1.
What is the InChIKey of N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine?
The InChIKey is BSEWFRGBMXZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-12(7-9-13-8-1)6-4-11-10-2-3-10/h10-11H,1-9H2.
What are the key properties of N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine?
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 62987458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).