N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

C16H32N2 — CID 114011168

IUPACN-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(CN(CCC(C)C)CCC(C)C)=C1CNC1
InChIInChI=1S/C16H32N2/c1-13(2)6-8-18(9-7-14(3)4)12-15(5)16-10-17-11-16/h13-14,17H,6-12H2,1-5H3
InChIKeyBFMBOLKERANZFT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.30
Rot. Bonds8

About N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 114011168) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID114011168
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(CN(CCC(C)C)CCC(C)C)=C1CNC1
InChIInChI=1S/C16H32N2/c1-13(2)6-8-18(9-7-14(3)4)12-15(5)16-10-17-11-16/h13-14,17H,6-12H2,1-5H3
InChIKeyBFMBOLKERANZFT-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (CID 114011168) is N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is CC(CN(CCC(C)C)CCC(C)C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is BFMBOLKERANZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)6-8-18(9-7-14(3)4)12-15(5)16-10-17-11-16/h13-14,17H,6-12H2,1-5H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 114011168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).