N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine

C9H19N3 — CID 89084461

IUPACN-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(N)C(C)C)C(C)C
InChIInChI=1S/C9H19N3/c1-7(2)9(11-5)6-12(10)8(3)4/h6-8H,5,10H2,1-4H3/b9-6-
InChIKeyRCZFCOAKRGHHOP-TWGQIWQCSA-N
MW169.27 g/mol
LogP1.77
Rot. Bonds4

About N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine

N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine (PubChem CID 89084461) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine
PubChem CID89084461
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(N)C(C)C)C(C)C
InChIInChI=1S/C9H19N3/c1-7(2)9(11-5)6-12(10)8(3)4/h6-8H,5,10H2,1-4H3/b9-6-
InChIKeyRCZFCOAKRGHHOP-TWGQIWQCSA-N
XLogP1.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine (CID 89084461) is N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine is C=N/C(=C\N(N)C(C)C)C(C)C.
What is the InChIKey of N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine?
The InChIKey is RCZFCOAKRGHHOP-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)9(11-5)6-12(10)8(3)4/h6-8H,5,10H2,1-4H3/b9-6-.
What are the key properties of N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine?
N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine has a molecular weight of 169.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-yl]methanimine is sourced from PubChem (CID 89084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).