N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine

C13H23N — CID 23559560

IUPACN-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1=CC=CCC1)C(C)C
InChIInChI=1S/C13H23N/c1-4-10-14(12(2)3)11-13-8-6-5-7-9-13/h5-6,8,12H,4,7,9-11H2,1-3H3
InChIKeyNJASBZVTGLZMBQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds5

About N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine

N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 23559560) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID23559560
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1=CC=CCC1)C(C)C
InChIInChI=1S/C13H23N/c1-4-10-14(12(2)3)11-13-8-6-5-7-9-13/h5-6,8,12H,4,7,9-11H2,1-3H3
InChIKeyNJASBZVTGLZMBQ-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Pyridine, 1-butyl-3,5-diethyl-1,2-dihydro-2-propyl-
CID 114238
1,1'-Dimethyl-1,1',2,2',3,3',6,6'-octahydro-4,4'-bipyridine
CID 171013
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
alpha-(N,N-Dimethylamino)ethylferrocene
CID 11010616
-(N,N-Dimethylamino)ethylferrocene
CID 102600828

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 23559560) is N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine is CCCN(CC1=CC=CCC1)C(C)C.
What is the InChIKey of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NJASBZVTGLZMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-10-14(12(2)3)11-13-8-6-5-7-9-13/h5-6,8,12H,4,7,9-11H2,1-3H3.
What are the key properties of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine?
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 23559560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).