(3Z)-penta-1,3-diene-2,4-diamine;propane

C8H18N2 — CID 144731148

IUPAC(3Z)-penta-1,3-diene-2,4-diamine;propane
SMILESC=C(N)/C=C(/C)N.CCC
InChIInChI=1S/C5H10N2.C3H8/c1-4(6)3-5(2)7;1-3-2/h3H,1,6-7H2,2H3;3H2,1-2H3/b5-3-;
InChIKeyMWXYUZPRMMCJEW-FBZPGIPVSA-N
MW142.25 g/mol
LogP1.74
Rot. Bonds1

About (3Z)-penta-1,3-diene-2,4-diamine;propane

(3Z)-penta-1,3-diene-2,4-diamine;propane (PubChem CID 144731148) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3Z)-penta-1,3-diene-2,4-diamine;propane.

Molecular Properties

Compound Name(3Z)-penta-1,3-diene-2,4-diamine;propane
PubChem CID144731148
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3Z)-penta-1,3-diene-2,4-diamine;propane
SMILESC=C(N)/C=C(/C)N.CCC
InChIInChI=1S/C5H10N2.C3H8/c1-4(6)3-5(2)7;1-3-2/h3H,1,6-7H2,2H3;3H2,1-2H3/b5-3-;
InChIKeyMWXYUZPRMMCJEW-FBZPGIPVSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
bis(2-methylprop-1-ene);propane
CID 159493997
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
CID 129269311
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
bis(3-aminobut-3-en-2-one);ethane;propane
CID 160805847
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975
(E)-3-methyl-4-methylidenehex-2-en-2-amine
CID 177319888
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104

Frequently Asked Questions

What is the IUPAC name of (3Z)-penta-1,3-diene-2,4-diamine;propane?
The IUPAC name of (3Z)-penta-1,3-diene-2,4-diamine;propane (CID 144731148) is (3Z)-penta-1,3-diene-2,4-diamine;propane.
What is the SMILES notation for (3Z)-penta-1,3-diene-2,4-diamine;propane?
The canonical SMILES for (3Z)-penta-1,3-diene-2,4-diamine;propane is C=C(N)/C=C(/C)N.CCC.
What is the InChIKey of (3Z)-penta-1,3-diene-2,4-diamine;propane?
The InChIKey is MWXYUZPRMMCJEW-FBZPGIPVSA-N. The full InChI is InChI=1S/C5H10N2.C3H8/c1-4(6)3-5(2)7;1-3-2/h3H,1,6-7H2,2H3;3H2,1-2H3/b5-3-;.
What are the key properties of (3Z)-penta-1,3-diene-2,4-diamine;propane?
(3Z)-penta-1,3-diene-2,4-diamine;propane has a molecular weight of 142.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-penta-1,3-diene-2,4-diamine;propane is sourced from PubChem (CID 144731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).