[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine

C16H31N3 — CID 82853766

IUPAC[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESCCC1CCCN(C2(CN)CCN3CCCC32)CC1
InChIInChI=1S/C16H31N3/c1-2-14-5-3-10-19(11-7-14)16(13-17)8-12-18-9-4-6-15(16)18/h14-15H,2-13,17H2,1H3
InChIKeyPWYVQGFCERFNSE-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds3

About [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine

[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine (PubChem CID 82853766) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
PubChem CID82853766
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESCCC1CCCN(C2(CN)CCN3CCCC32)CC1
InChIInChI=1S/C16H31N3/c1-2-14-5-3-10-19(11-7-14)16(13-17)8-12-18-9-4-6-15(16)18/h14-15H,2-13,17H2,1H3
InChIKeyPWYVQGFCERFNSE-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine with MolForge

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Related Compounds

[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103494845
[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365192
[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853079
1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
CID 82853075
[3-(4-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 79951737
[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103531964
[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82824035
[3-(4-ethylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718747
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320901
2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
CID 82856381
[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
CID 64762341
[1-cyclopropyl-3-(4-ethylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62975832

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The IUPAC name of [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine (CID 82853766) is [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine.
What is the SMILES notation for [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The canonical SMILES for [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine is CCC1CCCN(C2(CN)CCN3CCCC32)CC1.
What is the InChIKey of [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The InChIKey is PWYVQGFCERFNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-14-5-3-10-19(11-7-14)16(13-17)8-12-18-9-4-6-15(16)18/h14-15H,2-13,17H2,1H3.
What are the key properties of [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine is sourced from PubChem (CID 82853766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).