N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine

C14H23N — CID 19936023

IUPACN-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine
SMILESCCCCN(C=C1C=CC=C1)CCCC
InChIInChI=1S/C14H23N/c1-3-5-11-15(12-6-4-2)13-14-9-7-8-10-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyBTPXZGFQGXRIHK-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.90
Rot. Bonds7

About N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine

N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine (PubChem CID 19936023) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine
PubChem CID19936023
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine
SMILESCCCCN(C=C1C=CC=C1)CCCC
InChIInChI=1S/C14H23N/c1-3-5-11-15(12-6-4-2)13-14-9-7-8-10-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyBTPXZGFQGXRIHK-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine (CID 19936023) is N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine is CCCCN(C=C1C=CC=C1)CCCC.
What is the InChIKey of N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine?
The InChIKey is BTPXZGFQGXRIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-11-15(12-6-4-2)13-14-9-7-8-10-14/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine?
N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine is sourced from PubChem (CID 19936023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).