N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine

C14H30N2 — CID 83221002

IUPACN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
SMILESCCC1CCC(C)N1CCNCCC(C)C
InChIInChI=1S/C14H30N2/c1-5-14-7-6-13(4)16(14)11-10-15-9-8-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyVGMMKZNTDCYDPG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine

N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 83221002) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
PubChem CID83221002
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
SMILESCCC1CCC(C)N1CCNCCC(C)C
InChIInChI=1S/C14H30N2/c1-5-14-7-6-13(4)16(14)11-10-15-9-8-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyVGMMKZNTDCYDPG-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
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-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 83221004
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
3-(2-ethyl-5-methylpyrrolidin-1-yl)propanal
CID 83219777
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 62575365
(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
CID 103934796
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 83221323
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
2-ethyl-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-amine
CID 83219853
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 83222044
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 83221804
N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
CID 62561761

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine (CID 83221002) is N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine is CCC1CCC(C)N1CCNCCC(C)C.
What is the InChIKey of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is VGMMKZNTDCYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14-7-6-13(4)16(14)11-10-15-9-8-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine?
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 83221002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).