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

C16H33N3 — CID 102912361

IUPAC1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCC(C)C(CNC1(CN)CCN2CCCC21)C(C)C
InChIInChI=1S/C16H33N3/c1-12(2)14(13(3)4)10-18-16(11-17)7-9-19-8-5-6-15(16)19/h12-15,18H,5-11,17H2,1-4H3
InChIKeyDBBNMSLASPQVJI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.07
Rot. Bonds6

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

1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 102912361) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID102912361
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCC(C)C(CNC1(CN)CCN2CCCC21)C(C)C
InChIInChI=1S/C16H33N3/c1-12(2)14(13(3)4)10-18-16(11-17)7-9-19-8-5-6-15(16)19/h12-15,18H,5-11,17H2,1-4H3
InChIKeyDBBNMSLASPQVJI-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 102912361) is 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CC(C)C(CNC1(CN)CCN2CCCC21)C(C)C.
What is the InChIKey of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is DBBNMSLASPQVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-12(2)14(13(3)4)10-18-16(11-17)7-9-19-8-5-6-15(16)19/h12-15,18H,5-11,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 102912361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).