3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

C16H25N3O — CID 80636310

IUPAC3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(CNC2CC2)cnc1N(C)CC1CC(O)C1
InChIInChI=1S/C16H25N3O/c1-11-5-13(8-17-14-3-4-14)9-18-16(11)19(2)10-12-6-15(20)7-12/h5,9,12,14-15,17,20H,3-4,6-8,10H2,1-2H3
InChIKeyVUZAGWNVPUFPKQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.85
Rot. Bonds6

About 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80636310) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
PubChem CID80636310
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(CNC2CC2)cnc1N(C)CC1CC(O)C1
InChIInChI=1S/C16H25N3O/c1-11-5-13(8-17-14-3-4-14)9-18-16(11)19(2)10-12-6-15(20)7-12/h5,9,12,14-15,17,20H,3-4,6-8,10H2,1-2H3
InChIKeyVUZAGWNVPUFPKQ-UHFFFAOYSA-N
XLogP1.85
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636101
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631518
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 80636888
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 80637021
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637515
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80636298
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (CID 80636310) is 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is Cc1cc(CNC2CC2)cnc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is VUZAGWNVPUFPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-5-13(8-17-14-3-4-14)9-18-16(11)19(2)10-12-6-15(20)7-12/h5,9,12,14-15,17,20H,3-4,6-8,10H2,1-2H3.
What are the key properties of 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80636310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).