1-(3-aminoundecoxy)undecan-3-amine

C22H48N2O — CID 141300494

IUPAC1-(3-aminoundecoxy)undecan-3-amine
SMILESCCCCCCCCC(N)CCOCCC(N)CCCCCCCC
InChIInChI=1S/C22H48N2O/c1-3-5-7-9-11-13-15-21(23)17-19-25-20-18-22(24)16-14-12-10-8-6-4-2/h21-22H,3-20,23-24H2,1-2H3
InChIKeyVYPNIBCCLCBCPN-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.94
Rot. Bonds20

About 1-(3-aminoundecoxy)undecan-3-amine

1-(3-aminoundecoxy)undecan-3-amine (PubChem CID 141300494) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-(3-aminoundecoxy)undecan-3-amine.

Molecular Properties

Compound Name1-(3-aminoundecoxy)undecan-3-amine
PubChem CID141300494
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name1-(3-aminoundecoxy)undecan-3-amine
SMILESCCCCCCCCC(N)CCOCCC(N)CCCCCCCC
InChIInChI=1S/C22H48N2O/c1-3-5-7-9-11-13-15-21(23)17-19-25-20-18-22(24)16-14-12-10-8-6-4-2/h21-22H,3-20,23-24H2,1-2H3
InChIKeyVYPNIBCCLCBCPN-UHFFFAOYSA-N
XLogP5.94
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
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

1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-ethoxynonan-4-amine
CID 105129941
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
decan-4-amine;hydrochloride
CID 87728109
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoundecoxy)undecan-3-amine?
The IUPAC name of 1-(3-aminoundecoxy)undecan-3-amine (CID 141300494) is 1-(3-aminoundecoxy)undecan-3-amine.
What is the SMILES notation for 1-(3-aminoundecoxy)undecan-3-amine?
The canonical SMILES for 1-(3-aminoundecoxy)undecan-3-amine is CCCCCCCCC(N)CCOCCC(N)CCCCCCCC.
What is the InChIKey of 1-(3-aminoundecoxy)undecan-3-amine?
The InChIKey is VYPNIBCCLCBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c1-3-5-7-9-11-13-15-21(23)17-19-25-20-18-22(24)16-14-12-10-8-6-4-2/h21-22H,3-20,23-24H2,1-2H3.
What are the key properties of 1-(3-aminoundecoxy)undecan-3-amine?
1-(3-aminoundecoxy)undecan-3-amine has a molecular weight of 356.64 g/mol, XLogP of 5.94, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoundecoxy)undecan-3-amine is sourced from PubChem (CID 141300494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).