N,N-dimethylicosan-5-amine

C22H47N — CID 19862397

IUPACN,N-dimethylicosan-5-amine
SMILESCCCCCCCCCCCCCCCC(CCCC)N(C)C
InChIInChI=1S/C22H47N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22(23(3)4)20-8-6-2/h22H,5-21H2,1-4H3
InChIKeyDWFBGAGGVFCIMB-UHFFFAOYSA-N
MW325.63 g/mol
LogP7.59
Rot. Bonds18

About N,N-dimethylicosan-5-amine

N,N-dimethylicosan-5-amine (PubChem CID 19862397) has the molecular formula C22H47N and a molecular weight of 325.63 g/mol. Its IUPAC name is N,N-dimethylicosan-5-amine.

Molecular Properties

Compound NameN,N-dimethylicosan-5-amine
PubChem CID19862397
Molecular FormulaC22H47N
Molecular Weight325.63 g/mol
Exact Mass325.37
IUPAC NameN,N-dimethylicosan-5-amine
SMILESCCCCCCCCCCCCCCCC(CCCC)N(C)C
InChIInChI=1S/C22H47N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22(23(3)4)20-8-6-2/h22H,5-21H2,1-4H3
InChIKeyDWFBGAGGVFCIMB-UHFFFAOYSA-N
XLogP7.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
CID 175431925
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
(25Z)-N,N-dimethylhentriaconta-22,25-dien-10-amine
CID 175715549

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylicosan-5-amine?
The IUPAC name of N,N-dimethylicosan-5-amine (CID 19862397) is N,N-dimethylicosan-5-amine.
What is the SMILES notation for N,N-dimethylicosan-5-amine?
The canonical SMILES for N,N-dimethylicosan-5-amine is CCCCCCCCCCCCCCCC(CCCC)N(C)C.
What is the InChIKey of N,N-dimethylicosan-5-amine?
The InChIKey is DWFBGAGGVFCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22(23(3)4)20-8-6-2/h22H,5-21H2,1-4H3.
What are the key properties of N,N-dimethylicosan-5-amine?
N,N-dimethylicosan-5-amine has a molecular weight of 325.63 g/mol, XLogP of 7.59, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylicosan-5-amine is sourced from PubChem (CID 19862397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).