N,N-bis(2-aminoethylamino)octadecanamide

C22H49N5O — CID 87548710

IUPACN,N-bis(2-aminoethylamino)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(NCCN)NCCN
InChIInChI=1S/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27(25-20-18-23)26-21-19-24/h25-26H,2-21,23-24H2,1H3
InChIKeyHTNAPXVPVCHQJT-UHFFFAOYSA-N
MW399.67 g/mol
LogP4.00
Rot. Bonds22

About N,N-bis(2-aminoethylamino)octadecanamide

N,N-bis(2-aminoethylamino)octadecanamide (PubChem CID 87548710) has the molecular formula C22H49N5O and a molecular weight of 399.67 g/mol. Its IUPAC name is N,N-bis(2-aminoethylamino)octadecanamide.

Molecular Properties

Compound NameN,N-bis(2-aminoethylamino)octadecanamide
PubChem CID87548710
Molecular FormulaC22H49N5O
Molecular Weight399.67 g/mol
Exact Mass399.39
IUPAC NameN,N-bis(2-aminoethylamino)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(NCCN)NCCN
InChIInChI=1S/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27(25-20-18-23)26-21-19-24/h25-26H,2-21,23-24H2,1H3
InChIKeyHTNAPXVPVCHQJT-UHFFFAOYSA-N
XLogP4.00
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-(2-aminoethyl)nonanamide
CID 13028008
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-hydroxy-N-methyloctadecanamide
CID 19818891
N-(2-aminoacetyl)-N-octanoyloctanamide
CID 175927090
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
N-amino-N-hydroxydocosanamide
CID 87686885

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethylamino)octadecanamide?
The IUPAC name of N,N-bis(2-aminoethylamino)octadecanamide (CID 87548710) is N,N-bis(2-aminoethylamino)octadecanamide.
What is the SMILES notation for N,N-bis(2-aminoethylamino)octadecanamide?
The canonical SMILES for N,N-bis(2-aminoethylamino)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(NCCN)NCCN.
What is the InChIKey of N,N-bis(2-aminoethylamino)octadecanamide?
The InChIKey is HTNAPXVPVCHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27(25-20-18-23)26-21-19-24/h25-26H,2-21,23-24H2,1H3.
What are the key properties of N,N-bis(2-aminoethylamino)octadecanamide?
N,N-bis(2-aminoethylamino)octadecanamide has a molecular weight of 399.67 g/mol, XLogP of 4.00, 22 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethylamino)octadecanamide is sourced from PubChem (CID 87548710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).