N-ethyl-4-methyldec-9-en-5-amine

C13H27N — CID 104987082

IUPACN-ethyl-4-methyldec-9-en-5-amine
SMILESC=CCCCC(NCC)C(C)CCC
InChIInChI=1S/C13H27N/c1-5-8-9-11-13(14-7-3)12(4)10-6-2/h5,12-14H,1,6-11H2,2-4H3
InChIKeyDDPBTTWEMRWXGD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds9

About N-ethyl-4-methyldec-9-en-5-amine

N-ethyl-4-methyldec-9-en-5-amine (PubChem CID 104987082) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-4-methyldec-9-en-5-amine.

Molecular Properties

Compound NameN-ethyl-4-methyldec-9-en-5-amine
PubChem CID104987082
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-4-methyldec-9-en-5-amine
SMILESC=CCCCC(NCC)C(C)CCC
InChIInChI=1S/C13H27N/c1-5-8-9-11-13(14-7-3)12(4)10-6-2/h5,12-14H,1,6-11H2,2-4H3
InChIKeyDDPBTTWEMRWXGD-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
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

(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
N-ethyl-5-methyltridecan-6-amine
CID 114246331
(4S)-non-8-en-4-amine
CID 10678342
(4R)-non-8-en-4-amine
CID 10796847
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
6,7,8,9-tetramethyltetradec-1-ene
CID 57142635
4-methyl-N-propyldecan-5-amine
CID 115837654
N,4-dipropyldodec-11-en-5-amine
CID 107011617
1-tert-butylsulfanyl-N-ethylhept-6-en-2-amine
CID 65133114
2,3-dimethyl-N-propylundec-10-en-4-amine
CID 107012008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyldec-9-en-5-amine?
The IUPAC name of N-ethyl-4-methyldec-9-en-5-amine (CID 104987082) is N-ethyl-4-methyldec-9-en-5-amine.
What is the SMILES notation for N-ethyl-4-methyldec-9-en-5-amine?
The canonical SMILES for N-ethyl-4-methyldec-9-en-5-amine is C=CCCCC(NCC)C(C)CCC.
What is the InChIKey of N-ethyl-4-methyldec-9-en-5-amine?
The InChIKey is DDPBTTWEMRWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-8-9-11-13(14-7-3)12(4)10-6-2/h5,12-14H,1,6-11H2,2-4H3.
What are the key properties of N-ethyl-4-methyldec-9-en-5-amine?
N-ethyl-4-methyldec-9-en-5-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyldec-9-en-5-amine is sourced from PubChem (CID 104987082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).