1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine

C13H28N2 — CID 117018936

IUPAC1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCCCCN1CC(CNC)CC1(C)C
InChIInChI=1S/C13H28N2/c1-5-6-7-8-15-11-12(10-14-4)9-13(15,2)3/h12,14H,5-11H2,1-4H3
InChIKeyAYPBRYBCWGBDPN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine

1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 117018936) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID117018936
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCCCCN1CC(CNC)CC1(C)C
InChIInChI=1S/C13H28N2/c1-5-6-7-8-15-11-12(10-14-4)9-13(15,2)3/h12,14H,5-11H2,1-4H3
InChIKeyAYPBRYBCWGBDPN-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018912
1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117018914
5,5-dimethyl-1-pentylpyrrolidine-3-carboxylic acid
CID 117018394
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
2-(6,6-dimethyl-1-pentylpiperidin-3-yl)acetic acid
CID 117021293
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
N-methyl-1-(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 117003742
N-methyl-1-(1,6,6-trimethylpiperidin-3-yl)methanamine
CID 117021633
CID 11459117
CID 11459117
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine (CID 117018936) is 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine is CCCCCN1CC(CNC)CC1(C)C.
What is the InChIKey of 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is AYPBRYBCWGBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-7-8-15-11-12(10-14-4)9-13(15,2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine?
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117018936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).