N-(2-methylpropylideneamino)propan-2-amine

C7H16N2 — CID 149477438

IUPACN-(2-methylpropylideneamino)propan-2-amine
SMILESCC(C)C=NNC(C)C
InChIInChI=1S/C7H16N2/c1-6(2)5-8-9-7(3)4/h5-7,9H,1-4H3
InChIKeyZCOSDMGEBMHBGJ-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.63
Rot. Bonds3

About N-(2-methylpropylideneamino)propan-2-amine

N-(2-methylpropylideneamino)propan-2-amine (PubChem CID 149477438) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-(2-methylpropylideneamino)propan-2-amine.

Molecular Properties

Compound NameN-(2-methylpropylideneamino)propan-2-amine
PubChem CID149477438
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-(2-methylpropylideneamino)propan-2-amine
SMILESCC(C)C=NNC(C)C
InChIInChI=1S/C7H16N2/c1-6(2)5-8-9-7(3)4/h5-7,9H,1-4H3
InChIKeyZCOSDMGEBMHBGJ-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-methylpropylideneamino)propan-2-amine?
The IUPAC name of N-(2-methylpropylideneamino)propan-2-amine (CID 149477438) is N-(2-methylpropylideneamino)propan-2-amine.
What is the SMILES notation for N-(2-methylpropylideneamino)propan-2-amine?
The canonical SMILES for N-(2-methylpropylideneamino)propan-2-amine is CC(C)C=NNC(C)C.
What is the InChIKey of N-(2-methylpropylideneamino)propan-2-amine?
The InChIKey is ZCOSDMGEBMHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)5-8-9-7(3)4/h5-7,9H,1-4H3.
What are the key properties of N-(2-methylpropylideneamino)propan-2-amine?
N-(2-methylpropylideneamino)propan-2-amine has a molecular weight of 128.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylideneamino)propan-2-amine is sourced from PubChem (CID 149477438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).