N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine

C17H28N2O2 — CID 116722846

IUPACN-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(c1cncc(OCCC)c1)C(OC)C1CC1
InChIInChI=1S/C17H28N2O2/c1-4-8-19-16(17(20-3)13-6-7-13)14-10-15(12-18-11-14)21-9-5-2/h10-13,16-17,19H,4-9H2,1-3H3
InChIKeyNSYGGBSUGIYETH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.34
Rot. Bonds10

About N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine

N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 116722846) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
PubChem CID116722846
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(c1cncc(OCCC)c1)C(OC)C1CC1
InChIInChI=1S/C17H28N2O2/c1-4-8-19-16(17(20-3)13-6-7-13)14-10-15(12-18-11-14)21-9-5-2/h10-13,16-17,19H,4-9H2,1-3H3
InChIKeyNSYGGBSUGIYETH-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
CID 116722688
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
[2-cyclopropyl-2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105272873
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
CID 105175729
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026808
[2-cyclopropyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105272724

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine (CID 116722846) is N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine is CCCNC(c1cncc(OCCC)c1)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is NSYGGBSUGIYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-8-19-16(17(20-3)13-6-7-13)14-10-15(12-18-11-14)21-9-5-2/h10-13,16-17,19H,4-9H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine?
N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 116722846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).