(2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine

C18H31N3O — CID 166696162

IUPAC(2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESCCCCC(C)Oc1ccc(C[C@H](N)CN2CCCC2)cn1
InChIInChI=1S/C18H31N3O/c1-3-4-7-15(2)22-18-9-8-16(13-20-18)12-17(19)14-21-10-5-6-11-21/h8-9,13,15,17H,3-7,10-12,14,19H2,1-2H3/t15?,17-/m0/s1
InChIKeyUMMHMXVVDUMYQR-LWKPJOBUSA-N
MW305.47 g/mol
LogP3.00
Rot. Bonds9

About (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine

(2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 166696162) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID166696162
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESCCCCC(C)Oc1ccc(C[C@H](N)CN2CCCC2)cn1
InChIInChI=1S/C18H31N3O/c1-3-4-7-15(2)22-18-9-8-16(13-20-18)12-17(19)14-21-10-5-6-11-21/h8-9,13,15,17H,3-7,10-12,14,19H2,1-2H3/t15?,17-/m0/s1
InChIKeyUMMHMXVVDUMYQR-LWKPJOBUSA-N
XLogP3.00
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980166
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895
(2S)-1-[4-(4-fluorobutoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-amine
CID 70228716
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 102985726
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
1-(5-ethyl-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 112512787
6-octan-2-yloxypyridine-3-carbonitrile
CID 43128061
5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine
CID 95897061
4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
CID 129196836
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine
CID 71051369

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine (CID 166696162) is (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine is CCCCC(C)Oc1ccc(C[C@H](N)CN2CCCC2)cn1.
What is the InChIKey of (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is UMMHMXVVDUMYQR-LWKPJOBUSA-N. The full InChI is InChI=1S/C18H31N3O/c1-3-4-7-15(2)22-18-9-8-16(13-20-18)12-17(19)14-21-10-5-6-11-21/h8-9,13,15,17H,3-7,10-12,14,19H2,1-2H3/t15?,17-/m0/s1.
What are the key properties of (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine?
(2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 305.47 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-hexan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 166696162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).