1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine

C17H29N3 — CID 107913107

IUPAC1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(CCC2CCCCN2C)c1)C1CC1
InChIInChI=1S/C17H29N3/c1-18-17(14-6-7-14)15-8-11-20(13-15)12-9-16-5-3-4-10-19(16)2/h8,11,13-14,16-18H,3-7,9-10,12H2,1-2H3
InChIKeyRWPVRHPVALEHFP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.03
Rot. Bonds6

About 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine

1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine (PubChem CID 107913107) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine
PubChem CID107913107
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(CCC2CCCCN2C)c1)C1CC1
InChIInChI=1S/C17H29N3/c1-18-17(14-6-7-14)15-8-11-20(13-15)12-9-16-5-3-4-10-19(16)2/h8,11,13-14,16-18H,3-7,9-10,12H2,1-2H3
InChIKeyRWPVRHPVALEHFP-UHFFFAOYSA-N
XLogP3.03
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]ethanol
CID 107913046
1-cyclopropyl-1-[1-(4,4-dimethylpentyl)pyrrol-3-yl]-N-methylmethanamine
CID 114209707
1-cyclopropyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N-methylmethanamine
CID 103411328
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 107913082
2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 107913087
1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
CID 79104183
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
methyl 2-[3-[cyclopropyl(methylamino)methyl]pyrrol-1-yl]acetate
CID 79103308
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine
CID 79104017
1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine
CID 103136355
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
CID 107913072

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine (CID 107913107) is 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine is CNC(c1ccn(CCC2CCCCN2C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is RWPVRHPVALEHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-18-17(14-6-7-14)15-8-11-20(13-15)12-9-16-5-3-4-10-19(16)2/h8,11,13-14,16-18H,3-7,9-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine?
1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 107913107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).