triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide

C17H32IN3 — CID 160709638

IUPACtriethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
SMILESCC[N+](CC)(CC)CCCCCNc1cc(C)ccn1.[I-]
InChIInChI=1S/C17H32N3.HI/c1-5-20(6-2,7-3)14-10-8-9-12-18-17-15-16(4)11-13-19-17;/h11,13,15H,5-10,12,14H2,1-4H3,(H,18,19);1H/q+1;/p-1
InChIKeyCZHFDSKYAJMJRY-UHFFFAOYSA-M
MW405.37 g/mol
LogP0.85
Rot. Bonds10

About triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide

triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide (PubChem CID 160709638) has the molecular formula C17H32IN3 and a molecular weight of 405.37 g/mol. Its IUPAC name is triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide.

Molecular Properties

Compound Nametriethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
PubChem CID160709638
Molecular FormulaC17H32IN3
Molecular Weight405.37 g/mol
Exact Mass405.16
IUPAC Nametriethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
SMILESCC[N+](CC)(CC)CCCCCNc1cc(C)ccn1.[I-]
InChIInChI=1S/C17H32N3.HI/c1-5-20(6-2,7-3)14-10-8-9-12-18-17-15-16(4)11-13-19-17;/h11,13,15H,5-10,12,14H2,1-4H3,(H,18,19);1H/q+1;/p-1
InChIKeyCZHFDSKYAJMJRY-UHFFFAOYSA-M
XLogP0.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
CID 142941016
4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
CID 162756422
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N,N-dimethyl-2-[(4-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 106338668
2-methyl-1-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 65110504

Frequently Asked Questions

What is the IUPAC name of triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide?
The IUPAC name of triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide (CID 160709638) is triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide.
What is the SMILES notation for triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide?
The canonical SMILES for triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide is CC[N+](CC)(CC)CCCCCNc1cc(C)ccn1.[I-].
What is the InChIKey of triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide?
The InChIKey is CZHFDSKYAJMJRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H32N3.HI/c1-5-20(6-2,7-3)14-10-8-9-12-18-17-15-16(4)11-13-19-17;/h11,13,15H,5-10,12,14H2,1-4H3,(H,18,19);1H/q+1;/p-1.
What are the key properties of triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide?
triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide has a molecular weight of 405.37 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide is sourced from PubChem (CID 160709638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).