N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine

C17H29N3O — CID 80632816

IUPACN-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ncc(CNCCOC)cc1C
InChIInChI=1S/C17H29N3O/c1-4-8-20(13-15-5-6-15)17-14(2)10-16(12-19-17)11-18-7-9-21-3/h10,12,15,18H,4-9,11,13H2,1-3H3
InChIKeyXQQMQWPYVAPZMV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds10

About N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine

N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine (PubChem CID 80632816) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
PubChem CID80632816
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ncc(CNCCOC)cc1C
InChIInChI=1S/C17H29N3O/c1-4-8-20(13-15-5-6-15)17-14(2)10-16(12-19-17)11-18-7-9-21-3/h10,12,15,18H,4-9,11,13H2,1-3H3
InChIKeyXQQMQWPYVAPZMV-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.75
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 N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine (CID 80632816) is N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine is CCCN(CC1CC1)c1ncc(CNCCOC)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine?
The InChIKey is XQQMQWPYVAPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-20(13-15-5-6-15)17-14(2)10-16(12-19-17)11-18-7-9-21-3/h10,12,15,18H,4-9,11,13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine?
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 80632816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).