(Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine

C10H23N3 — CID 139505096

IUPAC(Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine
SMILESCCNN(/C=C(\N)C(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-6-12-13(9(4)5)7-10(11)8(2)3/h7-9,12H,6,11H2,1-5H3/b10-7-
InChIKeyLDTIVAKEWAXNSR-YFHOEESVSA-N
MW185.31 g/mol
LogP1.68
Rot. Bonds5

About (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine

(Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine (PubChem CID 139505096) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine
PubChem CID139505096
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name(Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine
SMILESCCNN(/C=C(\N)C(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-6-12-13(9(4)5)7-10(11)8(2)3/h7-9,12H,6,11H2,1-5H3/b10-7-
InChIKeyLDTIVAKEWAXNSR-YFHOEESVSA-N
XLogP1.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine?
The IUPAC name of (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine (CID 139505096) is (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine is CCNN(/C=C(\N)C(C)C)C(C)C.
What is the InChIKey of (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine?
The InChIKey is LDTIVAKEWAXNSR-YFHOEESVSA-N. The full InChI is InChI=1S/C10H23N3/c1-6-12-13(9(4)5)7-10(11)8(2)3/h7-9,12H,6,11H2,1-5H3/b10-7-.
What are the key properties of (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine?
(Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[ethylamino(propan-2-yl)amino]-3-methylbut-1-en-2-amine is sourced from PubChem (CID 139505096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).