N-methyl-N-propylpropan-1-amine

C7H16N+ — CID 136915966

IUPACN-methyl-N-propylpropan-1-amine
SMILES[CH2+]CCN(C)CCC
InChIInChI=1S/C7H16N/c1-4-6-8(3)7-5-2/h1,4-7H2,2-3H3/q+1
InChIKeyZZTWNVSMJFHQSJ-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-N-propylpropan-1-amine

N-methyl-N-propylpropan-1-amine (PubChem CID 136915966) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-propylpropan-1-amine
PubChem CID136915966
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC NameN-methyl-N-propylpropan-1-amine
SMILES[CH2+]CCN(C)CCC
InChIInChI=1S/C7H16N/c1-4-6-8(3)7-5-2/h1,4-7H2,2-3H3/q+1
InChIKeyZZTWNVSMJFHQSJ-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylpropan-1-amine?
The IUPAC name of N-methyl-N-propylpropan-1-amine (CID 136915966) is N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for N-methyl-N-propylpropan-1-amine?
The canonical SMILES for N-methyl-N-propylpropan-1-amine is [CH2+]CCN(C)CCC.
What is the InChIKey of N-methyl-N-propylpropan-1-amine?
The InChIKey is ZZTWNVSMJFHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N/c1-4-6-8(3)7-5-2/h1,4-7H2,2-3H3/q+1.
What are the key properties of N-methyl-N-propylpropan-1-amine?
N-methyl-N-propylpropan-1-amine has a molecular weight of 114.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 136915966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).