3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine

C15H29N3 — CID 61440814

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCN(CC1CC1)C1(CN)CN2CCC1CC2
InChIInChI=1S/C15H29N3/c1-2-7-18(10-13-3-4-13)15(11-16)12-17-8-5-14(15)6-9-17/h13-14H,2-12,16H2,1H3
InChIKeyJQCYDMGPANYGQV-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.53
Rot. Bonds6

About 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine

3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 61440814) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID61440814
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCN(CC1CC1)C1(CN)CN2CCC1CC2
InChIInChI=1S/C15H29N3/c1-2-7-18(10-13-3-4-13)15(11-16)12-17-8-5-14(15)6-9-17/h13-14H,2-12,16H2,1H3
InChIKeyJQCYDMGPANYGQV-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine (CID 61440814) is 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine is CCCN(CC1CC1)C1(CN)CN2CCC1CC2.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is JQCYDMGPANYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-7-18(10-13-3-4-13)15(11-16)12-17-8-5-14(15)6-9-17/h13-14H,2-12,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 61440814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).