1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine

C18H37N3 — CID 79865652

IUPAC1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(C)CC2CCCN2CC)CCC1(C)C
InChIInChI=1S/C18H37N3/c1-6-12-19-17-16(10-11-18(17,3)4)20(5)14-15-9-8-13-21(15)7-2/h15-17,19H,6-14H2,1-5H3
InChIKeyMYNRXSQOBLBLQT-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds7

About 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine

1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine (PubChem CID 79865652) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
PubChem CID79865652
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(C)CC2CCCN2CC)CCC1(C)C
InChIInChI=1S/C18H37N3/c1-6-12-19-17-16(10-11-18(17,3)4)20(5)14-15-9-8-13-21(15)7-2/h15-17,19H,6-14H2,1-5H3
InChIKeyMYNRXSQOBLBLQT-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine with MolForge

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
2-[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 79866086
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418
6-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842434
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855490
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855876
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054981
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 79828545

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine (CID 79865652) is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine is CCCNC1C(N(C)CC2CCCN2CC)CCC1(C)C.
What is the InChIKey of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine?
The InChIKey is MYNRXSQOBLBLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-12-19-17-16(10-11-18(17,3)4)20(5)14-15-9-8-13-21(15)7-2/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine?
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 79865652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).