(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C14H19ClN2O — CID 105166254

IUPAC(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(c1ccncc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H19ClN2O/c15-12-9-17-6-2-11(12)13(16)10-3-7-18-14(8-10)4-1-5-14/h2,6,9-10,13H,1,3-5,7-8,16H2
InChIKeyNCVNRIKDJSSQGN-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.08
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105166254) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105166254
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(c1ccncc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H19ClN2O/c15-12-9-17-6-2-11(12)13(16)10-3-7-18-14(8-10)4-1-5-14/h2,6,9-10,13H,1,3-5,7-8,16H2
InChIKeyNCVNRIKDJSSQGN-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
6-oxaspiro[4.5]decan-9-yl(pyrazin-2-yl)methanamine
CID 79914615
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(5-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016683
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105166254) is (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is NC(c1ccncc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is NCVNRIKDJSSQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-9-17-6-2-11(12)13(16)10-3-7-18-14(8-10)4-1-5-14/h2,6,9-10,13H,1,3-5,7-8,16H2.
What are the key properties of (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 266.77 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105166254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).