N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine

C18H23N3O — CID 174391824

IUPACN-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine
SMILES[H]/N=C(\CCNc1ccccn1)CC(C)c1cccc(OC)c1
InChIInChI=1S/C18H23N3O/c1-14(15-6-5-7-17(13-15)22-2)12-16(19)9-11-21-18-8-3-4-10-20-18/h3-8,10,13-14,19H,9,11-12H2,1-2H3,(H,20,21)/b19-16+
InChIKeyFKCMYUQFMQRXON-KNTRCKAVSA-N
MW297.40 g/mol
LogP4.11
Rot. Bonds8

About N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine

N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine (PubChem CID 174391824) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine
PubChem CID174391824
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine
SMILES[H]/N=C(\CCNc1ccccn1)CC(C)c1cccc(OC)c1
InChIInChI=1S/C18H23N3O/c1-14(15-6-5-7-17(13-15)22-2)12-16(19)9-11-21-18-8-3-4-10-20-18/h3-8,10,13-14,19H,9,11-12H2,1-2H3,(H,20,21)/b19-16+
InChIKeyFKCMYUQFMQRXON-KNTRCKAVSA-N
XLogP4.11
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
CID 54373068
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
(3S)-4-methoxy-4-oxo-3-[3-(pyridin-2-ylamino)propanoylamino]butanoic acid
CID 166386107
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111640579
(3S)-3-(3-methoxyphenyl)-N-(2-methoxy-3-pyridinyl)-N-methylbutanamide
CID 97016190
3-phenyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid
CID 11202207
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047

Frequently Asked Questions

What is the IUPAC name of N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine?
The IUPAC name of N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine (CID 174391824) is N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine.
What is the SMILES notation for N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine?
The canonical SMILES for N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine is [H]/N=C(\CCNc1ccccn1)CC(C)c1cccc(OC)c1.
What is the InChIKey of N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine?
The InChIKey is FKCMYUQFMQRXON-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(15-6-5-7-17(13-15)22-2)12-16(19)9-11-21-18-8-3-4-10-20-18/h3-8,10,13-14,19H,9,11-12H2,1-2H3,(H,20,21)/b19-16+.
What are the key properties of N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine?
N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-imino-5-(3-methoxyphenyl)hexyl]pyridin-2-amine is sourced from PubChem (CID 174391824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).