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

C16H27N3O — CID 80636301

IUPACN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
SMILESCCN(CC1CC1)c1ncc(CNCCOC)cc1C
InChIInChI=1S/C16H27N3O/c1-4-19(12-14-5-6-14)16-13(2)9-15(11-18-16)10-17-7-8-20-3/h9,11,14,17H,4-8,10,12H2,1-3H3
InChIKeyXXWCZWRCODRLPO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine (PubChem CID 80636301) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
PubChem CID80636301
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
SMILESCCN(CC1CC1)c1ncc(CNCCOC)cc1C
InChIInChI=1S/C16H27N3O/c1-4-19(12-14-5-6-14)16-13(2)9-15(11-18-16)10-17-7-8-20-3/h9,11,14,17H,4-8,10,12H2,1-3H3
InChIKeyXXWCZWRCODRLPO-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
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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Related Compounds

N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80632816
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
CID 80631236
N,N-bis(cyclopropylmethyl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636371
N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
2-chloro-N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]aniline
CID 81149933
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80636298
2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80638789

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine (CID 80636301) is N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine is CCN(CC1CC1)c1ncc(CNCCOC)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
The InChIKey is XXWCZWRCODRLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(12-14-5-6-14)16-13(2)9-15(11-18-16)10-17-7-8-20-3/h9,11,14,17H,4-8,10,12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine?
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 80636301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).