N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

C18H29N3 — CID 115706083

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCC1CC(NCCCN(C)c2ccccc2)CN1C1CC1
InChIInChI=1S/C18H29N3/c1-15-13-16(14-21(15)18-9-10-18)19-11-6-12-20(2)17-7-4-3-5-8-17/h3-5,7-8,15-16,18-19H,6,9-14H2,1-2H3
InChIKeyLRTSPNMEJNSKSC-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.73
Rot. Bonds7

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 115706083) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID115706083
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCC1CC(NCCCN(C)c2ccccc2)CN1C1CC1
InChIInChI=1S/C18H29N3/c1-15-13-16(14-21(15)18-9-10-18)19-11-6-12-20(2)17-7-4-3-5-8-17/h3-5,7-8,15-16,18-19H,6,9-14H2,1-2H3
InChIKeyLRTSPNMEJNSKSC-UHFFFAOYSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.73
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

5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983
N'-cyclopentyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methylethane-1,2-diamine
CID 115717762
N'-methyl-N-(1-oxothian-4-yl)-N'-phenylpropane-1,3-diamine
CID 54981703
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
N'-methyl-N'-phenyl-N-(1-prop-2-ynylpiperidin-4-yl)propane-1,3-diamine
CID 43759235
1-cyclopropyl-5-methyl-N-(2-methylsulfinylethyl)pyrrolidin-3-amine
CID 115720797
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
1-cyclopropyl-N-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-amine
CID 103780983
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 115706083) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is CC1CC(NCCCN(C)c2ccccc2)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is LRTSPNMEJNSKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-13-16(14-21(15)18-9-10-18)19-11-6-12-20(2)17-7-4-3-5-8-17/h3-5,7-8,15-16,18-19H,6,9-14H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 115706083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).