N,N,5-trimethylhexa-1,4-dien-3-amine

C9H17N — CID 126639086

IUPACN,N,5-trimethylhexa-1,4-dien-3-amine
SMILESC=CC(C=C(C)C)N(C)C
InChIInChI=1S/C9H17N/c1-6-9(10(4)5)7-8(2)3/h6-7,9H,1H2,2-5H3
InChIKeyBZFNMEMEBBWQRM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds3

About N,N,5-trimethylhexa-1,4-dien-3-amine

N,N,5-trimethylhexa-1,4-dien-3-amine (PubChem CID 126639086) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N,5-trimethylhexa-1,4-dien-3-amine.

Molecular Properties

Compound NameN,N,5-trimethylhexa-1,4-dien-3-amine
PubChem CID126639086
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N,5-trimethylhexa-1,4-dien-3-amine
SMILESC=CC(C=C(C)C)N(C)C
InChIInChI=1S/C9H17N/c1-6-9(10(4)5)7-8(2)3/h6-7,9H,1H2,2-5H3
InChIKeyBZFNMEMEBBWQRM-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)prop-2-en-1-ol
CID 87523249
(3S)-3-tert-butyl-5-methylhexa-1,4-diene
CID 59105635
(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
CID 15882620
N,N-dimethylbut-3-en-2-amine
CID 13459667
N,N-dimethyl-1-silylprop-2-en-1-amine
CID 173042969
3-(dimethylamino)hex-5-ene-2,4-dione
CID 23317699
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
(2S)-2-(dimethylamino)but-3-en-1-ol
CID 138983091
1-chloro-N,N-dimethylprop-2-en-1-amine
CID 53400738
4-(diethylamino)-2-methylhexa-2,5-dienoic acid
CID 173403917
(2R,3R)-2-ethenyl-3-hydroxy-5-methylhex-4-enoic acid
CID 11052073
N,N-diethyl-6-methylhepta-1,5-dien-3-amine
CID 142113031

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethylhexa-1,4-dien-3-amine?
The IUPAC name of N,N,5-trimethylhexa-1,4-dien-3-amine (CID 126639086) is N,N,5-trimethylhexa-1,4-dien-3-amine.
What is the SMILES notation for N,N,5-trimethylhexa-1,4-dien-3-amine?
The canonical SMILES for N,N,5-trimethylhexa-1,4-dien-3-amine is C=CC(C=C(C)C)N(C)C.
What is the InChIKey of N,N,5-trimethylhexa-1,4-dien-3-amine?
The InChIKey is BZFNMEMEBBWQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-9(10(4)5)7-8(2)3/h6-7,9H,1H2,2-5H3.
What are the key properties of N,N,5-trimethylhexa-1,4-dien-3-amine?
N,N,5-trimethylhexa-1,4-dien-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethylhexa-1,4-dien-3-amine is sourced from PubChem (CID 126639086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).