ethane;N-ethyl-N-methylpentan-1-amine

C10H25N — CID 142145247

IUPACethane;N-ethyl-N-methylpentan-1-amine
SMILESCC.CCCCCN(C)CC
InChIInChI=1S/C8H19N.C2H6/c1-4-6-7-8-9(3)5-2;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyBQGMVIQSFJLRHC-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.15
Rot. Bonds5

About ethane;N-ethyl-N-methylpentan-1-amine

ethane;N-ethyl-N-methylpentan-1-amine (PubChem CID 142145247) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylpentan-1-amine
PubChem CID142145247
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Nameethane;N-ethyl-N-methylpentan-1-amine
SMILESCC.CCCCCN(C)CC
InChIInChI=1S/C8H19N.C2H6/c1-4-6-7-8-9(3)5-2;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyBQGMVIQSFJLRHC-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.15
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

N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine
CID 155107081
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-butyl-N-methylpentan-1-amine
CID 54060013
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylpentan-1-amine?
The IUPAC name of ethane;N-ethyl-N-methylpentan-1-amine (CID 142145247) is ethane;N-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-methylpentan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-methylpentan-1-amine is CC.CCCCCN(C)CC.
What is the InChIKey of ethane;N-ethyl-N-methylpentan-1-amine?
The InChIKey is BQGMVIQSFJLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6/c1-4-6-7-8-9(3)5-2;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methylpentan-1-amine?
ethane;N-ethyl-N-methylpentan-1-amine has a molecular weight of 159.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 142145247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).