5-methyl-N,N-dipropylhexa-1,4-dien-2-amine

C13H25N — CID 155053642

IUPAC5-methyl-N,N-dipropylhexa-1,4-dien-2-amine
SMILESC=C(CC=C(C)C)N(CCC)CCC
InChIInChI=1S/C13H25N/c1-6-10-14(11-7-2)13(5)9-8-12(3)4/h8H,5-7,9-11H2,1-4H3
InChIKeyQEAJVYBBWWUTHJ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.98
Rot. Bonds7

About 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine

5-methyl-N,N-dipropylhexa-1,4-dien-2-amine (PubChem CID 155053642) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name5-methyl-N,N-dipropylhexa-1,4-dien-2-amine
PubChem CID155053642
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-methyl-N,N-dipropylhexa-1,4-dien-2-amine
SMILESC=C(CC=C(C)C)N(CCC)CCC
InChIInChI=1S/C13H25N/c1-6-10-14(11-7-2)13(5)9-8-12(3)4/h8H,5-7,9-11H2,1-4H3
InChIKeyQEAJVYBBWWUTHJ-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.98
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

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CID 142129414
2,6-dimethyl-5-methylidenehept-2-ene
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N,N-dipropylethanethioamide
CID 19819320
(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
CID 143023885
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 177155599
N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
CID 106547265
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine
CID 88994532
sodium N,N-dipropylcarbamodithioate
CID 539731
3-methyl-2-methylidene-N-prop-1-en-2-yl-N-propylbutan-1-amine
CID 167290517
N-(3-methylbutyl)-N-propylhepta-1,6-dien-2-amine
CID 145373050
4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine
CID 166955539

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine?
The IUPAC name of 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine (CID 155053642) is 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine.
What is the SMILES notation for 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine?
The canonical SMILES for 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine is C=C(CC=C(C)C)N(CCC)CCC.
What is the InChIKey of 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine?
The InChIKey is QEAJVYBBWWUTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-10-14(11-7-2)13(5)9-8-12(3)4/h8H,5-7,9-11H2,1-4H3.
What are the key properties of 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine?
5-methyl-N,N-dipropylhexa-1,4-dien-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-dipropylhexa-1,4-dien-2-amine is sourced from PubChem (CID 155053642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).