5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine

C15H22ClN3 — CID 114926916

IUPAC5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
SMILESC=CCN(c1cc(CNCCC)c(Cl)cn1)C1CC1
InChIInChI=1S/C15H22ClN3/c1-3-7-17-10-12-9-15(18-11-14(12)16)19(8-4-2)13-5-6-13/h4,9,11,13,17H,2-3,5-8,10H2,1H3
InChIKeyAUZVZCOMFMOZMC-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.39
Rot. Bonds8

About 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine

5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 114926916) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
PubChem CID114926916
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
SMILESC=CCN(c1cc(CNCCC)c(Cl)cn1)C1CC1
InChIInChI=1S/C15H22ClN3/c1-3-7-17-10-12-9-15(18-11-14(12)16)19(8-4-2)13-5-6-13/h4,9,11,13,17H,2-3,5-8,10H2,1H3
InChIKeyAUZVZCOMFMOZMC-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
N-cyclopropyl-5-(ethylaminomethyl)-N-prop-2-enylpyrazin-2-amine
CID 107380684
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 114925957
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107380683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine (CID 114926916) is 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine is C=CCN(c1cc(CNCCC)c(Cl)cn1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is AUZVZCOMFMOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-3-7-17-10-12-9-15(18-11-14(12)16)19(8-4-2)13-5-6-13/h4,9,11,13,17H,2-3,5-8,10H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine?
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114926916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).