N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine

C14H31N3 — CID 63167526

IUPACN,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
SMILESCC(C)CCCNCCN1CCC(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-13(2)6-5-8-15-9-11-17-10-7-14(12-17)16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyNNKQWSGTXPDOIJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds8

About N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine (PubChem CID 63167526) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
PubChem CID63167526
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
SMILESCC(C)CCCNCCN1CCC(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-13(2)6-5-8-15-9-11-17-10-7-14(12-17)16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyNNKQWSGTXPDOIJ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-4-methylpentan-1-amine
CID 63502695
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167315
1-[5-(ethylamino)pentyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166700
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62556377
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089801
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55160308

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine (CID 63167526) is N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine is CC(C)CCCNCCN1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is NNKQWSGTXPDOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)6-5-8-15-9-11-17-10-7-14(12-17)16(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).