N-(3-butoxypropyl)pyridin-2-amine

C12H20N2O — CID 115569614

IUPACN-(3-butoxypropyl)pyridin-2-amine
SMILESCCCCOCCCNc1ccccn1
InChIInChI=1S/C12H20N2O/c1-2-3-10-15-11-6-9-14-12-7-4-5-8-13-12/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,13,14)
InChIKeyXZJQNOLQKVVHDC-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.70
Rot. Bonds8

About N-(3-butoxypropyl)pyridin-2-amine

N-(3-butoxypropyl)pyridin-2-amine (PubChem CID 115569614) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(3-butoxypropyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)pyridin-2-amine
PubChem CID115569614
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(3-butoxypropyl)pyridin-2-amine
SMILESCCCCOCCCNc1ccccn1
InChIInChI=1S/C12H20N2O/c1-2-3-10-15-11-6-9-14-12-7-4-5-8-13-12/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,13,14)
InChIKeyXZJQNOLQKVVHDC-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butylpyridin-2-amine
CID 14322668
(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
CID 638982
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
1-(4-ethoxybutyl)-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111945806
N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine
CID 22602741
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
N-(3-butoxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115599008
N-(5-chloropentyl)pyridin-2-amine
CID 107320546

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)pyridin-2-amine?
The IUPAC name of N-(3-butoxypropyl)pyridin-2-amine (CID 115569614) is N-(3-butoxypropyl)pyridin-2-amine.
What is the SMILES notation for N-(3-butoxypropyl)pyridin-2-amine?
The canonical SMILES for N-(3-butoxypropyl)pyridin-2-amine is CCCCOCCCNc1ccccn1.
What is the InChIKey of N-(3-butoxypropyl)pyridin-2-amine?
The InChIKey is XZJQNOLQKVVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-10-15-11-6-9-14-12-7-4-5-8-13-12/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,13,14).
What are the key properties of N-(3-butoxypropyl)pyridin-2-amine?
N-(3-butoxypropyl)pyridin-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)pyridin-2-amine is sourced from PubChem (CID 115569614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).