N-[(1-methylazetidin-3-yl)methyl]propan-1-amine

C8H18N2 — CID 131142144

IUPACN-[(1-methylazetidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CN(C)C1
InChIInChI=1S/C8H18N2/c1-3-4-9-5-8-6-10(2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyFKDFVNCIOZGZSX-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.55
Rot. Bonds4

About N-[(1-methylazetidin-3-yl)methyl]propan-1-amine

N-[(1-methylazetidin-3-yl)methyl]propan-1-amine (PubChem CID 131142144) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[(1-methylazetidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylazetidin-3-yl)methyl]propan-1-amine
PubChem CID131142144
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[(1-methylazetidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CN(C)C1
InChIInChI=1S/C8H18N2/c1-3-4-9-5-8-6-10(2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyFKDFVNCIOZGZSX-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylazetidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylazetidin-3-yl)methyl]propan-1-amine (CID 131142144) is N-[(1-methylazetidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylazetidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylazetidin-3-yl)methyl]propan-1-amine is CCCNCC1CN(C)C1.
What is the InChIKey of N-[(1-methylazetidin-3-yl)methyl]propan-1-amine?
The InChIKey is FKDFVNCIOZGZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-4-9-5-8-6-10(2)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[(1-methylazetidin-3-yl)methyl]propan-1-amine?
N-[(1-methylazetidin-3-yl)methyl]propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylazetidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 131142144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).