1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C14H29N3 — CID 82854020

IUPAC1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCCCCN(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C14H29N3/c1-3-4-5-9-16(2)14(12-15)8-11-17-10-6-7-13(14)17/h13H,3-12,15H2,1-2H3
InChIKeyUDUQJZXGUWXURQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82854020) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82854020
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCCCCN(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C14H29N3/c1-3-4-5-9-16(2)14(12-15)8-11-17-10-6-7-13(14)17/h13H,3-12,15H2,1-2H3
InChIKeyUDUQJZXGUWXURQ-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853930
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853755
2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188241
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853847
1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853157
1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853588
1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853076
[1-(2,2-dimethylhydrazinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 83010988
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 154510933
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82854020) is 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CCCCCN(C)C1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is UDUQJZXGUWXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-4-5-9-16(2)14(12-15)8-11-17-10-6-7-13(14)17/h13H,3-12,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82854020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).