N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C17H33N3 — CID 106605079

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCCCN(CC1CCCN1)C1CCN2CCCCC12
InChIInChI=1S/C17H33N3/c1-2-3-11-20(14-15-7-6-10-18-15)17-9-13-19-12-5-4-8-16(17)19/h15-18H,2-14H2,1H3
InChIKeyCTGIGYMBBUSNQP-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 106605079) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID106605079
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCCCCN(CC1CCCN1)C1CCN2CCCCC12
InChIInChI=1S/C17H33N3/c1-2-3-11-20(14-15-7-6-10-18-15)17-9-13-19-12-5-4-8-16(17)19/h15-18H,2-14H2,1H3
InChIKeyCTGIGYMBBUSNQP-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106873334
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
CID 106616594
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 130606432
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclopentan-1-amine
CID 106604021
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 106605079) is N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CCCCN(CC1CCCN1)C1CCN2CCCCC12.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is CTGIGYMBBUSNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-3-11-20(14-15-7-6-10-18-15)17-9-13-19-12-5-4-8-16(17)19/h15-18H,2-14H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 106605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).