N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine

C14H30N2 — CID 106019244

IUPACN-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
SMILESCCCCC(CCC)N1CCC(CNC)C1
InChIInChI=1S/C14H30N2/c1-4-6-8-14(7-5-2)16-10-9-13(12-16)11-15-3/h13-15H,4-12H2,1-3H3
InChIKeyBWRXTTMDGHCCKT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine

N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine (PubChem CID 106019244) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
PubChem CID106019244
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
SMILESCCCCC(CCC)N1CCC(CNC)C1
InChIInChI=1S/C14H30N2/c1-4-6-8-14(7-5-2)16-10-9-13(12-16)11-15-3/h13-15H,4-12H2,1-3H3
InChIKeyBWRXTTMDGHCCKT-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

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Related Compounds

N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
CID 62511473
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893
1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114868388
N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62513962
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 61207933
1-[(4R)-octan-4-yl]azetidine
CID 170061956
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
CID 64568314
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine
CID 134267208
1-heptan-4-ylpiperidin-4-amine
CID 29009442
1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine (CID 106019244) is N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine is CCCCC(CCC)N1CCC(CNC)C1.
What is the InChIKey of N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine?
The InChIKey is BWRXTTMDGHCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-8-14(7-5-2)16-10-9-13(12-16)11-15-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine?
N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine 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-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 106019244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).