N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine

C13H23N — CID 13212526

IUPACN-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)C1=CC=CC1
InChIInChI=1S/C13H23N/c1-10(2)14(11(3)4)12(5)13-8-6-7-9-13/h6-8,10-12H,9H2,1-5H3
InChIKeyJOKNYFRZKCZXOQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds4

About N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine

N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 13212526) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID13212526
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)C1=CC=CC1
InChIInChI=1S/C13H23N/c1-10(2)14(11(3)4)12(5)13-8-6-7-9-13/h6-8,10-12H,9H2,1-5H3
InChIKeyJOKNYFRZKCZXOQ-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
alpha-(N,N-Dimethylamino)ethylferrocene
CID 11010616
-(N,N-Dimethylamino)ethylferrocene
CID 102600828
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine (CID 13212526) is N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(C)C1=CC=CC1.
What is the InChIKey of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is JOKNYFRZKCZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)14(11(3)4)12(5)13-8-6-7-9-13/h6-8,10-12H,9H2,1-5H3.
What are the key properties of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 13212526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).