N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine

C10H17N — CID 143703318

IUPACN-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine
SMILESC=CC(C)(C)/C=C\N=C\CC
InChIInChI=1S/C10H17N/c1-5-8-11-9-7-10(3,4)6-2/h6-9H,2,5H2,1,3-4H3/b9-7-,11-8+
InChIKeyCORVOMFPQWYXPN-BYSFRFKNSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine

N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine (PubChem CID 143703318) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine
PubChem CID143703318
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine
SMILESC=CC(C)(C)/C=C\N=C\CC
InChIInChI=1S/C10H17N/c1-5-8-11-9-7-10(3,4)6-2/h6-9H,2,5H2,1,3-4H3/b9-7-,11-8+
InChIKeyCORVOMFPQWYXPN-BYSFRFKNSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Propen-1-amine, N-(2,2-dimethylpropylidene)-, (E,E)-
CID 5463448
(2,2'-Dimethyl-propylidene)-propenylamine
CID 144273
3,3-Dimethylpyrrole
CID 18759231
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476
N-but-1-enylpropan-1-imine
CID 53828011
N-but-1-enylbutan-1-imine
CID 53833808
N-hex-1-enylhexan-1-imine
CID 53896020
N-pent-1-enylpentan-1-imine
CID 53963202
ethane;3H-pyrrole
CID 54050481
ethane;3H-pyrrole
CID 54102107
N-[(Z)-but-1-enyl]propan-1-imine
CID 58975967

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine?
The IUPAC name of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine (CID 143703318) is N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine.
What is the SMILES notation for N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine?
The canonical SMILES for N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine is C=CC(C)(C)/C=C\N=C\CC.
What is the InChIKey of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine?
The InChIKey is CORVOMFPQWYXPN-BYSFRFKNSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8-11-9-7-10(3,4)6-2/h6-9H,2,5H2,1,3-4H3/b9-7-,11-8+.
What are the key properties of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine?
N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine is sourced from PubChem (CID 143703318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).