N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine

C15H28N2O — CID 75400617

IUPACN-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
SMILESCCCN(CCN1CC2CCC(C1)O2)CC1CC1
InChIInChI=1S/C15H28N2O/c1-2-7-16(10-13-3-4-13)8-9-17-11-14-5-6-15(12-17)18-14/h13-15H,2-12H2,1H3
InChIKeyLKYUNDDBIXFVRW-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.97
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine

N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine (PubChem CID 75400617) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
PubChem CID75400617
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
SMILESCCCN(CCN1CC2CCC(C1)O2)CC1CC1
InChIInChI=1S/C15H28N2O/c1-2-7-16(10-13-3-4-13)8-9-17-11-14-5-6-15(12-17)18-14/h13-15H,2-12H2,1H3
InChIKeyLKYUNDDBIXFVRW-UHFFFAOYSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine (CID 75400617) is N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine is CCCN(CCN1CC2CCC(C1)O2)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
The InChIKey is LKYUNDDBIXFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-7-16(10-13-3-4-13)8-9-17-11-14-5-6-15(12-17)18-14/h13-15H,2-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 75400617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).