N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine

C16H34N2 — CID 106976307

IUPACN,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCCCC1(CN(CC)CC(CC)CC)CCCN1
InChIInChI=1S/C16H34N2/c1-5-10-16(11-9-12-17-16)14-18(8-4)13-15(6-2)7-3/h15,17H,5-14H2,1-4H3
InChIKeyYTWNVUHZTWGZCH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine

N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine (PubChem CID 106976307) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
PubChem CID106976307
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCCCC1(CN(CC)CC(CC)CC)CCCN1
InChIInChI=1S/C16H34N2/c1-5-10-16(11-9-12-17-16)14-18(8-4)13-15(6-2)7-3/h15,17H,5-14H2,1-4H3
InChIKeyYTWNVUHZTWGZCH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dipropylpyrrolidine
CID 13332418
N,N,N'-trimethyl-N'-[(2-propylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 106976432
N-(2-methoxyethyl)-N-[(2-propylpyrrolidin-2-yl)methyl]pentan-3-amine
CID 106976339
N-ethyl-N-[(2-propylpyrrolidin-2-yl)methyl]cyclohexanamine
CID 106976200
N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106976507
2-methoxy-N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]ethanamine
CID 106976299
3-methoxy-N-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106976403
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
CID 106976388
2-ethyl-2-(2-ethylhexyl)pyrrolidine
CID 66468510
N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
CID 106976356
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104595168

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine (CID 106976307) is N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine is CCCC1(CN(CC)CC(CC)CC)CCCN1.
What is the InChIKey of N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
The InChIKey is YTWNVUHZTWGZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-10-16(11-9-12-17-16)14-18(8-4)13-15(6-2)7-3/h15,17H,5-14H2,1-4H3.
What are the key properties of N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 106976307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).