N,N-dimethylundec-2-en-5-amine

C13H27N — CID 57009622

IUPACN,N-dimethylundec-2-en-5-amine
SMILESCC=CCC(CCCCCC)N(C)C
InChIInChI=1S/C13H27N/c1-5-7-9-10-12-13(14(3)4)11-8-6-2/h6,8,13H,5,7,9-12H2,1-4H3
InChIKeyCODHFEGDNCSNHU-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.85
Rot. Bonds8

About N,N-dimethylundec-2-en-5-amine

N,N-dimethylundec-2-en-5-amine (PubChem CID 57009622) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N-dimethylundec-2-en-5-amine.

Molecular Properties

Compound NameN,N-dimethylundec-2-en-5-amine
PubChem CID57009622
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N-dimethylundec-2-en-5-amine
SMILESCC=CCC(CCCCCC)N(C)C
InChIInChI=1S/C13H27N/c1-5-7-9-10-12-13(14(3)4)11-8-6-2/h6,8,13H,5,7,9-12H2,1-4H3
InChIKeyCODHFEGDNCSNHU-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
Oleyldimethylamine
CID 5357010
Oleyltrimethylammonium chloride
CID 6436370
13-Docosen-1-amine, N,N-dimethyl-, (13Z)-
CID 87068691
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
CID 447259
9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 22958
Ethyldimethyl-oleylammonium bromide
CID 6433482
Ethyldimethyl-9-octadecenylammonium bromide
CID 20838111
N,N-Dimethyl-10-undecen-1-amine
CID 6420901
(9Z)-N-Methyl-N-(9Z)-9-octadecenyl-9-octadecen-1-amine
CID 15706419
n,n-Dimethylcyclohex-2-en-1-amine
CID 258772

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylundec-2-en-5-amine?
The IUPAC name of N,N-dimethylundec-2-en-5-amine (CID 57009622) is N,N-dimethylundec-2-en-5-amine.
What is the SMILES notation for N,N-dimethylundec-2-en-5-amine?
The canonical SMILES for N,N-dimethylundec-2-en-5-amine is CC=CCC(CCCCCC)N(C)C.
What is the InChIKey of N,N-dimethylundec-2-en-5-amine?
The InChIKey is CODHFEGDNCSNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-7-9-10-12-13(14(3)4)11-8-6-2/h6,8,13H,5,7,9-12H2,1-4H3.
What are the key properties of N,N-dimethylundec-2-en-5-amine?
N,N-dimethylundec-2-en-5-amine has a molecular weight of 197.37 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylundec-2-en-5-amine is sourced from PubChem (CID 57009622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).