(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane

C8H21N3 — CID 143047363

IUPAC(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane
SMILESC/C(N)=C/N(N)C(C)C.CC
InChIInChI=1S/C6H15N3.C2H6/c1-5(2)9(8)4-6(3)7;1-2/h4-5H,7-8H2,1-3H3;1-2H3/b6-4-;
InChIKeyQHKICPYVHOZHPJ-YHSAGPEESA-N
MW159.28 g/mol
LogP1.42
Rot. Bonds2

About (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane

(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane (PubChem CID 143047363) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane
PubChem CID143047363
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane
SMILESC/C(N)=C/N(N)C(C)C.CC
InChIInChI=1S/C6H15N3.C2H6/c1-5(2)9(8)4-6(3)7;1-2/h4-5H,7-8H2,1-3H3;1-2H3/b6-4-;
InChIKeyQHKICPYVHOZHPJ-YHSAGPEESA-N
XLogP1.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Trimethyl-triazole
CID 129788352
(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
CID 156637586
(Z)-1-[amino(2-fluoroethyl)amino]prop-1-en-2-amine
CID 167115798
(Z)-1-[amino(methyl)amino]prop-1-en-2-amine
CID 90246876
1-butan-2-yl-3,4-dimethyl-2H-triazole
CID 91535523
3,4-dimethyl-1-propan-2-yl-2H-triazole
CID 124201124
(Z)-1-[amino(2,2-dimethylpropyl)amino]prop-1-en-2-amine
CID 126542505
(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine
CID 126545546
5-Methyl-3-propan-2-yl-1,2-dihydrotriazole
CID 126637142
(Z)-1-[ethyl(methylamino)amino]-N-methylprop-1-en-2-amine
CID 129120831
(E)-1-N-diazenyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 129276007
(Z)-1-[amino(butyl)amino]but-1-en-2-amine
CID 130350767

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane (CID 143047363) is (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane is C/C(N)=C/N(N)C(C)C.CC.
What is the InChIKey of (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane?
The InChIKey is QHKICPYVHOZHPJ-YHSAGPEESA-N. The full InChI is InChI=1S/C6H15N3.C2H6/c1-5(2)9(8)4-6(3)7;1-2/h4-5H,7-8H2,1-3H3;1-2H3/b6-4-;.
What are the key properties of (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane?
(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane has a molecular weight of 159.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane is sourced from PubChem (CID 143047363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).