N,2,2-trimethyl-3-methyliminopropan-1-amine

C7H16N2 — CID 55288285

IUPACN,2,2-trimethyl-3-methyliminopropan-1-amine
SMILESC/N=C/C(C)(C)CNC
InChIInChI=1S/C7H16N2/c1-7(2,5-8-3)6-9-4/h5,9H,6H2,1-4H3/b8-5+
InChIKeyWOXVTPGMBZPXJT-VMPITWQZSA-N
MW128.22 g/mol
LogP0.93
Rot. Bonds3

About N,2,2-trimethyl-3-methyliminopropan-1-amine

N,2,2-trimethyl-3-methyliminopropan-1-amine (PubChem CID 55288285) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,2,2-trimethyl-3-methyliminopropan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-methyliminopropan-1-amine
PubChem CID55288285
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,2,2-trimethyl-3-methyliminopropan-1-amine
SMILESC/N=C/C(C)(C)CNC
InChIInChI=1S/C7H16N2/c1-7(2,5-8-3)6-9-4/h5,9H,6H2,1-4H3/b8-5+
InChIKeyWOXVTPGMBZPXJT-VMPITWQZSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-methyliminopropan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-methyliminopropan-1-amine (CID 55288285) is N,2,2-trimethyl-3-methyliminopropan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-methyliminopropan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-methyliminopropan-1-amine is C/N=C/C(C)(C)CNC.
What is the InChIKey of N,2,2-trimethyl-3-methyliminopropan-1-amine?
The InChIKey is WOXVTPGMBZPXJT-VMPITWQZSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2,5-8-3)6-9-4/h5,9H,6H2,1-4H3/b8-5+.
What are the key properties of N,2,2-trimethyl-3-methyliminopropan-1-amine?
N,2,2-trimethyl-3-methyliminopropan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-methyliminopropan-1-amine is sourced from PubChem (CID 55288285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).