(Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine

C25H51N — CID 150539852

IUPAC(Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC(C)(C)CCN(C)C
InChIInChI=1S/C25H51N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2,3)23-24-26(4)5/h13-14H,6-12,15-24H2,1-5H3/b14-13-
InChIKeyIFQIAJQTAWSCGF-YPKPFQOOSA-N
MW365.69 g/mol
LogP8.39
Rot. Bonds19

About (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine

(Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine (PubChem CID 150539852) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine
PubChem CID150539852
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name(Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC(C)(C)CCN(C)C
InChIInChI=1S/C25H51N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2,3)23-24-26(4)5/h13-14H,6-12,15-24H2,1-5H3/b14-13-
InChIKeyIFQIAJQTAWSCGF-YPKPFQOOSA-N
XLogP8.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine?
The IUPAC name of (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine (CID 150539852) is (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine.
What is the SMILES notation for (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine?
The canonical SMILES for (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine is CCCCCCCC/C=C\CCCCCCCCC(C)(C)CCN(C)C.
What is the InChIKey of (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine?
The InChIKey is IFQIAJQTAWSCGF-YPKPFQOOSA-N. The full InChI is InChI=1S/C25H51N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2,3)23-24-26(4)5/h13-14H,6-12,15-24H2,1-5H3/b14-13-.
What are the key properties of (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine?
(Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine has a molecular weight of 365.69 g/mol, XLogP of 8.39, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,3,3-tetramethylhenicos-12-en-1-amine is sourced from PubChem (CID 150539852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).