N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine

C12H21N — CID 174263009

IUPACN-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine
SMILESC=C/C(C)=C(\NC1CCC1)C(C)C
InChIInChI=1S/C12H21N/c1-5-10(4)12(9(2)3)13-11-7-6-8-11/h5,9,11,13H,1,6-8H2,2-4H3/b12-10-
InChIKeyHXBLCBWDVDLZJU-BENRWUELSA-N
MW179.31 g/mol
LogP3.24
Rot. Bonds4

About N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine

N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine (PubChem CID 174263009) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine
PubChem CID174263009
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine
SMILESC=C/C(C)=C(\NC1CCC1)C(C)C
InChIInChI=1S/C12H21N/c1-5-10(4)12(9(2)3)13-11-7-6-8-11/h5,9,11,13H,1,6-8H2,2-4H3/b12-10-
InChIKeyHXBLCBWDVDLZJU-BENRWUELSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-1-en-2-ylcyclobutanamine
CID 143509764
N-cyclodecylprop-2-enamide
CID 18400354
2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
N-cyclohexyl-2-oxopropanamide
CID 12861109
N-buta-2,3-dien-2-ylcyclohexanamine
CID 176535461
N-(1-cycloheptylethyl)but-3-en-2-imine
CID 87069900
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
N-cyclobutyl-N'-propan-2-yloxamide
CID 130668799
N-cyclohexyl-2-silylpropanamide
CID 123581134
(2S)-N-cyclobutyl-2-(methylamino)propanamide
CID 90052671
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexane
CID 155693272

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine?
The IUPAC name of N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine (CID 174263009) is N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine.
What is the SMILES notation for N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine?
The canonical SMILES for N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine is C=C/C(C)=C(\NC1CCC1)C(C)C.
What is the InChIKey of N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine?
The InChIKey is HXBLCBWDVDLZJU-BENRWUELSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10(4)12(9(2)3)13-11-7-6-8-11/h5,9,11,13H,1,6-8H2,2-4H3/b12-10-.
What are the key properties of N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine?
N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine has a molecular weight of 179.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,4-dimethylhexa-3,5-dien-3-yl]cyclobutanamine is sourced from PubChem (CID 174263009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).