N-propylpropan-1-amine

C18H45N3 — CID 139188721

IUPACN-propylpropan-1-amine
SMILESCCCNCCC.CCCNCCC.CCCNCCC
InChIInChI=1S/3C6H15N/c3*1-3-5-7-6-4-2/h3*7H,3-6H2,1-2H3
InChIKeyOPRYMINODMVMTK-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.19
Rot. Bonds12

About N-propylpropan-1-amine

N-propylpropan-1-amine (PubChem CID 139188721) has the molecular formula C18H45N3 and a molecular weight of 303.58 g/mol. Its IUPAC name is N-propylpropan-1-amine.

Molecular Properties

Compound NameN-propylpropan-1-amine
PubChem CID139188721
Molecular FormulaC18H45N3
Molecular Weight303.58 g/mol
Exact Mass303.36
IUPAC NameN-propylpropan-1-amine
SMILESCCCNCCC.CCCNCCC.CCCNCCC
InChIInChI=1S/3C6H15N/c3*1-3-5-7-6-4-2/h3*7H,3-6H2,1-2H3
InChIKeyOPRYMINODMVMTK-UHFFFAOYSA-N
XLogP4.19
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propylpropan-1-amine?
The IUPAC name of N-propylpropan-1-amine (CID 139188721) is N-propylpropan-1-amine.
What is the SMILES notation for N-propylpropan-1-amine?
The canonical SMILES for N-propylpropan-1-amine is CCCNCCC.CCCNCCC.CCCNCCC.
What is the InChIKey of N-propylpropan-1-amine?
The InChIKey is OPRYMINODMVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H15N/c3*1-3-5-7-6-4-2/h3*7H,3-6H2,1-2H3.
What are the key properties of N-propylpropan-1-amine?
N-propylpropan-1-amine has a molecular weight of 303.58 g/mol, XLogP of 4.19, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpropan-1-amine is sourced from PubChem (CID 139188721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).