1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H31N3O — CID 66053118

IUPAC1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-17(2)9-13-8-14(19)10-18(13)12-15(11-16)6-4-3-5-7-15/h13-14,19H,3-12,16H2,1-2H3
InChIKeyMYTFARCZJXCDME-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.89
Rot. Bonds5

About 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66053118) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66053118
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-17(2)9-13-8-14(19)10-18(13)12-15(11-16)6-4-3-5-7-15/h13-14,19H,3-12,16H2,1-2H3
InChIKeyMYTFARCZJXCDME-UHFFFAOYSA-N
XLogP0.89
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(aminomethyl)cyclopentyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053698
5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66053309
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
5-[(dimethylamino)methyl]-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyrrolidin-3-ol
CID 66052349
5-[(dimethylamino)methyl]-1-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66052929
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104643439
1-[[1-(aminomethyl)cyclopentyl]methyl]azetidin-3-ol
CID 130878081
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66053118) is 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CC1(CN)CCCCC1.
What is the InChIKey of 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is MYTFARCZJXCDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(2)9-13-8-14(19)10-18(13)12-15(11-16)6-4-3-5-7-15/h13-14,19H,3-12,16H2,1-2H3.
What are the key properties of 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 269.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).