1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol

C16H27N3O — CID 114950640

IUPAC1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCC(C)NCc1ccc(N(C)CC2(O)CCCC2)nc1
InChIInChI=1S/C16H27N3O/c1-13(2)17-10-14-6-7-15(18-11-14)19(3)12-16(20)8-4-5-9-16/h6-7,11,13,17,20H,4-5,8-10,12H2,1-3H3
InChIKeyRUSLUWTXDXEGAF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.32
Rot. Bonds6

About 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol

1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 114950640) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID114950640
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCC(C)NCc1ccc(N(C)CC2(O)CCCC2)nc1
InChIInChI=1S/C16H27N3O/c1-13(2)17-10-14-6-7-15(18-11-14)19(3)12-16(20)8-4-5-9-16/h6-7,11,13,17,20H,4-5,8-10,12H2,1-3H3
InChIKeyRUSLUWTXDXEGAF-UHFFFAOYSA-N
XLogP2.32
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
N-(cyclobutylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62855473
1-[[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950578
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284058
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 114950653
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281707
2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80630615
1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950569
1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952353

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 114950640) is 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol is CC(C)NCc1ccc(N(C)CC2(O)CCCC2)nc1.
What is the InChIKey of 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is RUSLUWTXDXEGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)17-10-14-6-7-15(18-11-14)19(3)12-16(20)8-4-5-9-16/h6-7,11,13,17,20H,4-5,8-10,12H2,1-3H3.
What are the key properties of 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).