N,N-diethyl-3-methylhept-1-en-1-amine

C12H25N — CID 57272761

IUPACN,N-diethyl-3-methylhept-1-en-1-amine
SMILESCCCCC(C)C=CN(CC)CC
InChIInChI=1S/C12H25N/c1-5-8-9-12(4)10-11-13(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyDEODLFMYSMMXAR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.67
Rot. Bonds7

About N,N-diethyl-3-methylhept-1-en-1-amine

N,N-diethyl-3-methylhept-1-en-1-amine (PubChem CID 57272761) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,N-diethyl-3-methylhept-1-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methylhept-1-en-1-amine
PubChem CID57272761
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,N-diethyl-3-methylhept-1-en-1-amine
SMILESCCCCC(C)C=CN(CC)CC
InChIInChI=1S/C12H25N/c1-5-8-9-12(4)10-11-13(6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyDEODLFMYSMMXAR-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E,3R)-N,N-diethyl-3,7-dimethyl-1,6-octadienylamine
CID 11042011
(1E,3S)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 13030152
Diethyl(hexenyl)amine
CID 85686831
(E)-N,N-diethylhex-1-en-1-amine
CID 87119704
Methyl-i-octenylamine
CID 90284756
N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
CID 170847923
N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
CID 140780277
Ethyl-methyl-isooctenyl amine
CID 54102089
(E)-N,N-diethylnon-1-en-1-amine
CID 101269106
(Z)-9-cyclopropyl-N,N-diethylnon-1-en-1-amine
CID 134894095
(E)-N,N,3,5,5-pentamethylhex-1-en-1-amine
CID 134933360

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylhept-1-en-1-amine?
The IUPAC name of N,N-diethyl-3-methylhept-1-en-1-amine (CID 57272761) is N,N-diethyl-3-methylhept-1-en-1-amine.
What is the SMILES notation for N,N-diethyl-3-methylhept-1-en-1-amine?
The canonical SMILES for N,N-diethyl-3-methylhept-1-en-1-amine is CCCCC(C)C=CN(CC)CC.
What is the InChIKey of N,N-diethyl-3-methylhept-1-en-1-amine?
The InChIKey is DEODLFMYSMMXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-9-12(4)10-11-13(6-2)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-3-methylhept-1-en-1-amine?
N,N-diethyl-3-methylhept-1-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylhept-1-en-1-amine is sourced from PubChem (CID 57272761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).