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

C14H30N2 — CID 62513962

IUPACN-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(C(CC)CCC)C1
InChIInChI=1S/C14H30N2/c1-4-7-14(6-3)16-10-8-13(12-16)11-15-9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyVUSNUNRBNJEFSV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

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

N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 62513962) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID62513962
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(C(CC)CCC)C1
InChIInChI=1S/C14H30N2/c1-4-7-14(6-3)16-10-8-13(12-16)11-15-9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyVUSNUNRBNJEFSV-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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

1-hexan-3-yl-N-propylpyrrolidin-3-amine
CID 62119500
2-[4-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 63847362
2-(3-ethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 83054364
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
CID 106019244
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
N,N-diethyl-1-[1-(propylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055333
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 106329245
N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512123

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 62513962) is N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine is CCCNCC1CCN(C(CC)CCC)C1.
What is the InChIKey of N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is VUSNUNRBNJEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-7-14(6-3)16-10-8-13(12-16)11-15-9-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine?
N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62513962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).