[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea

C17H32N4O — CID 54254998

IUPAC[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)C=NNC(N)=O
InChIInChI=1S/C17H32N4O/c1-14(2)15(18)11-9-7-5-6-8-10-12-17(3,4)13-20-21-16(19)22/h7-10,13-15H,5-6,11-12,18H2,1-4H3,(H3,19,21,22)
InChIKeyQZJXNWWCWNAMMS-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.32
Rot. Bonds10

About [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea

[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea (PubChem CID 54254998) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea.

Molecular Properties

Compound Name[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea
PubChem CID54254998
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)C=NNC(N)=O
InChIInChI=1S/C17H32N4O/c1-14(2)15(18)11-9-7-5-6-8-10-12-17(3,4)13-20-21-16(19)22/h7-10,13-15H,5-6,11-12,18H2,1-4H3,(H3,19,21,22)
InChIKeyQZJXNWWCWNAMMS-UHFFFAOYSA-N
XLogP3.32
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,12,12-trimethyl-13-nitrosotrideca-5,9-dien-3-amine
CID 54065889
[[(2S)-2-amino-3-methylbutylidene]amino]urea
CID 54307838
2,12,12-trimethyl-13-phenyldiazenyltrideca-5,9-dien-3-amine
CID 54277946
[(E)-2-oxopropylideneamino]urea
CID 13238217
(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine
CID 88743404
[(E)-2-oxobutylideneamino]urea
CID 55288593
2,11-dimethyldodeca-4,8-diene-1,11-diamine
CID 54039959
[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea
CID 71396195
[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea
CID 90989308
2,2,12-triethyltetradeca-4,8-diene-1,11-diamine
CID 54170456
propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate
CID 46910875
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483

Frequently Asked Questions

What is the IUPAC name of [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea?
The IUPAC name of [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea (CID 54254998) is [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea.
What is the SMILES notation for [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea?
The canonical SMILES for [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea is CC(C)C(N)CC=CCCC=CCC(C)(C)C=NNC(N)=O.
What is the InChIKey of [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea?
The InChIKey is QZJXNWWCWNAMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-14(2)15(18)11-9-7-5-6-8-10-12-17(3,4)13-20-21-16(19)22/h7-10,13-15H,5-6,11-12,18H2,1-4H3,(H3,19,21,22).
What are the key properties of [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea?
[(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea has a molecular weight of 308.47 g/mol, XLogP of 3.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)amino]urea is sourced from PubChem (CID 54254998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).