(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol

C14H22N2O2 — CID 83132424

IUPAC(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CCOCC2CC2)cn1
InChIInChI=1S/C14H22N2O2/c1-11(17)14-6-5-13(9-15-14)16(2)7-8-18-10-12-3-4-12/h5-6,9,11-12,17H,3-4,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyHAHAKSFHGYYOTQ-NSHDSACASA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds7

About (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol

(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol (PubChem CID 83132424) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol
PubChem CID83132424
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CCOCC2CC2)cn1
InChIInChI=1S/C14H22N2O2/c1-11(17)14-6-5-13(9-15-14)16(2)7-8-18-10-12-3-4-12/h5-6,9,11-12,17H,3-4,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyHAHAKSFHGYYOTQ-NSHDSACASA-N
XLogP2.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol (CID 83132424) is (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol is C[C@H](O)c1ccc(N(C)CCOCC2CC2)cn1.
What is the InChIKey of (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol?
The InChIKey is HAHAKSFHGYYOTQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)14-6-5-13(9-15-14)16(2)7-8-18-10-12-3-4-12/h5-6,9,11-12,17H,3-4,7-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol?
(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).