[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol

C19H34N4O — CID 144575960

IUPAC[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol
SMILESCC[C@H](CCNc1ncc(C)cc1C(O)NC)NC1CCCCC1
InChIInChI=1S/C19H34N4O/c1-4-15(23-16-8-6-5-7-9-16)10-11-21-18-17(19(24)20-3)12-14(2)13-22-18/h12-13,15-16,19-20,23-24H,4-11H2,1-3H3,(H,21,22)/t15-,19?/m1/s1
InChIKeyDQJPMJCJEAYOMH-NYRJJRHWSA-N
MW334.51 g/mol
LogP3.10
Rot. Bonds9

About [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol

[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol (PubChem CID 144575960) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol.

Molecular Properties

Compound Name[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol
PubChem CID144575960
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol
SMILESCC[C@H](CCNc1ncc(C)cc1C(O)NC)NC1CCCCC1
InChIInChI=1S/C19H34N4O/c1-4-15(23-16-8-6-5-7-9-16)10-11-21-18-17(19(24)20-3)12-14(2)13-22-18/h12-13,15-16,19-20,23-24H,4-11H2,1-3H3,(H,21,22)/t15-,19?/m1/s1
InChIKeyDQJPMJCJEAYOMH-NYRJJRHWSA-N
XLogP3.10
TPSA69.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol?
The IUPAC name of [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol (CID 144575960) is [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol.
What is the SMILES notation for [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol?
The canonical SMILES for [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol is CC[C@H](CCNc1ncc(C)cc1C(O)NC)NC1CCCCC1.
What is the InChIKey of [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol?
The InChIKey is DQJPMJCJEAYOMH-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H34N4O/c1-4-15(23-16-8-6-5-7-9-16)10-11-21-18-17(19(24)20-3)12-14(2)13-22-18/h12-13,15-16,19-20,23-24H,4-11H2,1-3H3,(H,21,22)/t15-,19?/m1/s1.
What are the key properties of [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol?
[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol has a molecular weight of 334.51 g/mol, XLogP of 3.10, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol is sourced from PubChem (CID 144575960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).