N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine

C13H23N — CID 126658712

IUPACN-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CC1=CC=CC1
InChIInChI=1S/C13H23N/c1-12(2)7-6-10-14(3)11-13-8-4-5-9-13/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeySIPZWQOXSBIZMB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.24
Rot. Bonds6

About N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine

N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine (PubChem CID 126658712) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine
PubChem CID126658712
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CC1=CC=CC1
InChIInChI=1S/C13H23N/c1-12(2)7-6-10-14(3)11-13-8-4-5-9-13/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeySIPZWQOXSBIZMB-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine (CID 126658712) is N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine is CC(C)CCCN(C)CC1=CC=CC1.
What is the InChIKey of N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is SIPZWQOXSBIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2)7-6-10-14(3)11-13-8-4-5-9-13/h4-5,8,12H,6-7,9-11H2,1-3H3.
What are the key properties of N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine?
N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-1,3-dien-1-ylmethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 126658712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).