2-(5-aminopentoxy)ethylazanium

C7H19N2O+ — CID 171066071

IUPAC2-(5-aminopentoxy)ethylazanium
SMILESNCCCCCOCC[NH3+]
InChIInChI=1S/C7H18N2O/c8-4-2-1-3-6-10-7-5-9/h1-9H2/p+1
InChIKeyPWQZWULJCKNGFL-UHFFFAOYSA-O
MW147.24 g/mol
LogP-0.63
Rot. Bonds7

About 2-(5-aminopentoxy)ethylazanium

2-(5-aminopentoxy)ethylazanium (PubChem CID 171066071) has the molecular formula C7H19N2O+ and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-(5-aminopentoxy)ethylazanium.

Molecular Properties

Compound Name2-(5-aminopentoxy)ethylazanium
PubChem CID171066071
Molecular FormulaC7H19N2O+
Molecular Weight147.24 g/mol
Exact Mass147.15
IUPAC Name2-(5-aminopentoxy)ethylazanium
SMILESNCCCCCOCC[NH3+]
InChIInChI=1S/C7H18N2O/c8-4-2-1-3-6-10-7-5-9/h1-9H2/p+1
InChIKeyPWQZWULJCKNGFL-UHFFFAOYSA-O
XLogP-0.63
TPSA62.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
2-(2-aminoethoxy)ethylazanium
CID 154027199
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
4-nonoxybutan-1-amine
CID 139664551
5-(2-phosphanylethoxy)pentan-1-amine
CID 170373947
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
(Z)-13-(4-aminobutoxy)tridec-5-en-1-amine
CID 89036460
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentoxy)ethylazanium?
The IUPAC name of 2-(5-aminopentoxy)ethylazanium (CID 171066071) is 2-(5-aminopentoxy)ethylazanium.
What is the SMILES notation for 2-(5-aminopentoxy)ethylazanium?
The canonical SMILES for 2-(5-aminopentoxy)ethylazanium is NCCCCCOCC[NH3+].
What is the InChIKey of 2-(5-aminopentoxy)ethylazanium?
The InChIKey is PWQZWULJCKNGFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18N2O/c8-4-2-1-3-6-10-7-5-9/h1-9H2/p+1.
What are the key properties of 2-(5-aminopentoxy)ethylazanium?
2-(5-aminopentoxy)ethylazanium has a molecular weight of 147.24 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentoxy)ethylazanium is sourced from PubChem (CID 171066071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).