N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine

C16H34N2 — CID 106603643

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
SMILESCCCCCCCC(C)N(CC)CC1CCCN1
InChIInChI=1S/C16H34N2/c1-4-6-7-8-9-11-15(3)18(5-2)14-16-12-10-13-17-16/h15-17H,4-14H2,1-3H3
InChIKeyDMGWQAXZGKTZOH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds10

About N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine

N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine (PubChem CID 106603643) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
PubChem CID106603643
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
SMILESCCCCCCCC(C)N(CC)CC1CCCN1
InChIInChI=1S/C16H34N2/c1-4-6-7-8-9-11-15(3)18(5-2)14-16-12-10-13-17-16/h15-17H,4-14H2,1-3H3
InChIKeyDMGWQAXZGKTZOH-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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

N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623
(2S)-2-(2-methyloctyl)pyrrolidine
CID 146488139
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine (CID 106603643) is N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine is CCCCCCCC(C)N(CC)CC1CCCN1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine?
The InChIKey is DMGWQAXZGKTZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-7-8-9-11-15(3)18(5-2)14-16-12-10-13-17-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine?
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine is sourced from PubChem (CID 106603643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).