N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide

C20H38N2 — CID 146212188

IUPACN,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide
SMILESC=C/N=C/N(C=C)C(CCCCCCC)CCCCCCC
InChIInChI=1S/C20H38N2/c1-5-9-11-13-15-17-20(18-16-14-12-10-6-2)22(8-4)19-21-7-3/h7-8,19-20H,3-6,9-18H2,1-2H3/b21-19+
InChIKeyJMUPBEUOUFGLJY-XUTLUUPISA-N
MW306.54 g/mol
LogP6.69
Rot. Bonds16

About N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide

N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide (PubChem CID 146212188) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide.

Molecular Properties

Compound NameN,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide
PubChem CID146212188
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide
SMILESC=C/N=C/N(C=C)C(CCCCCCC)CCCCCCC
InChIInChI=1S/C20H38N2/c1-5-9-11-13-15-17-20(18-16-14-12-10-6-2)22(8-4)19-21-7-3/h7-8,19-20H,3-6,9-18H2,1-2H3/b21-19+
InChIKeyJMUPBEUOUFGLJY-XUTLUUPISA-N
XLogP6.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N-(ethenyldiazenyl)pentadecan-8-amine
CID 138632043
3-ethenylnon-1-ene
CID 123641938
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide
CID 155277704
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-5-amine
CID 19862397
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
10-ethenylnonadecane
CID 57244946
(E)-N,3-bis(ethenyl)-4-methyldec-2-en-1-imine
CID 139315408
N-chloro-N-methylhenicosan-11-amine
CID 141096758

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide?
The IUPAC name of N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide (CID 146212188) is N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide.
What is the SMILES notation for N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide?
The canonical SMILES for N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide is C=C/N=C/N(C=C)C(CCCCCCC)CCCCCCC.
What is the InChIKey of N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide?
The InChIKey is JMUPBEUOUFGLJY-XUTLUUPISA-N. The full InChI is InChI=1S/C20H38N2/c1-5-9-11-13-15-17-20(18-16-14-12-10-6-2)22(8-4)19-21-7-3/h7-8,19-20H,3-6,9-18H2,1-2H3/b21-19+.
What are the key properties of N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide?
N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide has a molecular weight of 306.54 g/mol, XLogP of 6.69, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(ethenyl)-N-pentadecan-8-ylmethanimidamide is sourced from PubChem (CID 146212188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).