molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine

C8H17N — CID 176921885

IUPACmolecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
SMILESCN/C=C(/C)C=C(C)C.[H][H]
InChIInChI=1S/C8H15N.H2/c1-7(2)5-8(3)6-9-4;/h5-6,9H,1-4H3;1H/b8-6-;
InChIKeyXLEUODIGHLTPKM-PHZXCRFESA-N
MW127.23 g/mol
LogP2.32
Rot. Bonds2

About molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine

molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine (PubChem CID 176921885) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Namemolecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
PubChem CID176921885
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Namemolecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
SMILESCN/C=C(/C)C=C(C)C.[H][H]
InChIInChI=1S/C8H15N.H2/c1-7(2)5-8(3)6-9-4;/h5-6,9H,1-4H3;1H/b8-6-;
InChIKeyXLEUODIGHLTPKM-PHZXCRFESA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 118687373
(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
CID 143603614
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
CID 142272318
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
N,3-dimethylbut-2-enethioamide
CID 15634520
3,5-dimethylhexa-2,4-dienal
CID 71335802
2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene
CID 173202075
2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene
CID 173202044
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
N',3-dimethylbut-2-enehydrazide
CID 148501677
alumane;2-methylbut-2-ene
CID 174293100

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
The IUPAC name of molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine (CID 176921885) is molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
The canonical SMILES for molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine is CN/C=C(/C)C=C(C)C.[H][H].
What is the InChIKey of molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
The InChIKey is XLEUODIGHLTPKM-PHZXCRFESA-N. The full InChI is InChI=1S/C8H15N.H2/c1-7(2)5-8(3)6-9-4;/h5-6,9H,1-4H3;1H/b8-6-;.
What are the key properties of molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 176921885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).