11-(11-aminoundecoxy)undecan-1-amine

C22H48N2O — CID 19099845

IUPAC11-(11-aminoundecoxy)undecan-1-amine
SMILESNCCCCCCCCCCCOCCCCCCCCCCCN
InChIInChI=1S/C22H48N2O/c23-19-15-11-7-3-1-5-9-13-17-21-25-22-18-14-10-6-2-4-8-12-16-20-24/h1-24H2
InChIKeyDAVUPLQRXYMOAN-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.94
Rot. Bonds22

About 11-(11-aminoundecoxy)undecan-1-amine

11-(11-aminoundecoxy)undecan-1-amine (PubChem CID 19099845) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 11-(11-aminoundecoxy)undecan-1-amine.

Molecular Properties

Compound Name11-(11-aminoundecoxy)undecan-1-amine
PubChem CID19099845
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name11-(11-aminoundecoxy)undecan-1-amine
SMILESNCCCCCCCCCCCOCCCCCCCCCCCN
InChIInChI=1S/C22H48N2O/c23-19-15-11-7-3-1-5-9-13-17-21-25-22-18-14-10-6-2-4-8-12-16-20-24/h1-24H2
InChIKeyDAVUPLQRXYMOAN-UHFFFAOYSA-N
XLogP5.94
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-(5-aminopentoxy)ethylazanium
CID 171066071
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-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
4-(4-propoxybutoxy)butan-1-amine
CID 87914116

Frequently Asked Questions

What is the IUPAC name of 11-(11-aminoundecoxy)undecan-1-amine?
The IUPAC name of 11-(11-aminoundecoxy)undecan-1-amine (CID 19099845) is 11-(11-aminoundecoxy)undecan-1-amine.
What is the SMILES notation for 11-(11-aminoundecoxy)undecan-1-amine?
The canonical SMILES for 11-(11-aminoundecoxy)undecan-1-amine is NCCCCCCCCCCCOCCCCCCCCCCCN.
What is the InChIKey of 11-(11-aminoundecoxy)undecan-1-amine?
The InChIKey is DAVUPLQRXYMOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c23-19-15-11-7-3-1-5-9-13-17-21-25-22-18-14-10-6-2-4-8-12-16-20-24/h1-24H2.
What are the key properties of 11-(11-aminoundecoxy)undecan-1-amine?
11-(11-aminoundecoxy)undecan-1-amine has a molecular weight of 356.64 g/mol, XLogP of 5.94, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(11-aminoundecoxy)undecan-1-amine is sourced from PubChem (CID 19099845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).