N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine

C15H23N3 — CID 105074300

IUPACN-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CCC)c1cnccc1CNCCC
InChIInChI=1S/C15H23N3/c1-4-8-16-12-14-7-9-17-13-15(14)18(10-5-2)11-6-3/h2,7,9,13,16H,4,6,8,10-12H2,1,3H3
InChIKeyDXWIWAILQDVYQN-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.43
Rot. Bonds8

About N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine

N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine (PubChem CID 105074300) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound NameN-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine
PubChem CID105074300
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CCC)c1cnccc1CNCCC
InChIInChI=1S/C15H23N3/c1-4-8-16-12-14-7-9-17-13-15(14)18(10-5-2)11-6-3/h2,7,9,13,16H,4,6,8,10-12H2,1,3H3
InChIKeyDXWIWAILQDVYQN-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
[3-[ethyl(propyl)amino]-4-pyridinyl]methanol
CID 105066699
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine (CID 105074300) is N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine is C#CCN(CCC)c1cnccc1CNCCC.
What is the InChIKey of N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine?
The InChIKey is DXWIWAILQDVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-8-16-12-14-7-9-17-13-15(14)18(10-5-2)11-6-3/h2,7,9,13,16H,4,6,8,10-12H2,1,3H3.
What are the key properties of N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine?
N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine has a molecular weight of 245.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(propylaminomethyl)-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 105074300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).