2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine

C16H30N2O — CID 54065889

IUPAC2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)CN=O
InChIInChI=1S/C16H30N2O/c1-14(2)15(17)11-9-7-5-6-8-10-12-16(3,4)13-18-19/h7-10,14-15H,5-6,11-13,17H2,1-4H3
InChIKeyMCYCMVPVBUUCSO-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.44
Rot. Bonds10

About 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine

2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine (PubChem CID 54065889) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine.

Molecular Properties

Compound Name2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine
PubChem CID54065889
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)CN=O
InChIInChI=1S/C16H30N2O/c1-14(2)15(17)11-9-7-5-6-8-10-12-16(3,4)13-18-19/h7-10,14-15H,5-6,11-13,17H2,1-4H3
InChIKeyMCYCMVPVBUUCSO-UHFFFAOYSA-N
XLogP4.44
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,12,12-trimethyl-13-phenyldiazenyltrideca-5,9-dien-3-amine
CID 54277946
[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea
CID 54254998
2,2,12-triethyltetradeca-4,8-diene-1,11-diamine
CID 54170456
2,11-dimethyldodeca-4,8-diene-1,11-diamine
CID 54039959
(4E,8E)-2-aminoundeca-4,8-dienal
CID 88787367
2-methyl-1-nitrosopropan-2-amine
CID 54262546
2,2-dimethyl-1,6-dinitrosohexane
CID 22094686
10-methylundeca-3,7-diene
CID 91333064
(E)-2,8,8,10-tetramethylundec-4-ene
CID 59408864
3,8,8-trimethylnon-5-enal
CID 76623963
2,2,4-trimethylicosa-6,10,14,18-tetraen-3-one
CID 141425986
2-amino-1-nitrosopropan-2-ol
CID 153193547

Frequently Asked Questions

What is the IUPAC name of 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine?
The IUPAC name of 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine (CID 54065889) is 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine.
What is the SMILES notation for 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine?
The canonical SMILES for 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine is CC(C)C(N)CC=CCCC=CCC(C)(C)CN=O.
What is the InChIKey of 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine?
The InChIKey is MCYCMVPVBUUCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)15(17)11-9-7-5-6-8-10-12-16(3,4)13-18-19/h7-10,14-15H,5-6,11-13,17H2,1-4H3.
What are the key properties of 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine?
2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine has a molecular weight of 266.43 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine is sourced from PubChem (CID 54065889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).