(Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane

C12H29N3 — CID 156826830

IUPAC(Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane
SMILESC/C(N)=C/N(N)C(C)(C)CC(C)C.CC
InChIInChI=1S/C10H23N3.C2H6/c1-8(2)6-10(4,5)13(12)7-9(3)11;1-2/h7-8H,6,11-12H2,1-5H3;1-2H3/b9-7-;
InChIKeyRWGWWOKELVAWRI-VILQZVERSA-N
MW215.38 g/mol
LogP2.83
Rot. Bonds4

About (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane

(Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane (PubChem CID 156826830) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane
PubChem CID156826830
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name(Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane
SMILESC/C(N)=C/N(N)C(C)(C)CC(C)C.CC
InChIInChI=1S/C10H23N3.C2H6/c1-8(2)6-10(4,5)13(12)7-9(3)11;1-2/h7-8H,6,11-12H2,1-5H3;1-2H3/b9-7-;
InChIKeyRWGWWOKELVAWRI-VILQZVERSA-N
XLogP2.83
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane (CID 156826830) is (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane is C/C(N)=C/N(N)C(C)(C)CC(C)C.CC.
What is the InChIKey of (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane?
The InChIKey is RWGWWOKELVAWRI-VILQZVERSA-N. The full InChI is InChI=1S/C10H23N3.C2H6/c1-8(2)6-10(4,5)13(12)7-9(3)11;1-2/h7-8H,6,11-12H2,1-5H3;1-2H3/b9-7-;.
What are the key properties of (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane?
(Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane has a molecular weight of 215.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(2,4-dimethylpentan-2-yl)amino]prop-1-en-2-amine;ethane is sourced from PubChem (CID 156826830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).