N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine

C14H29N — CID 91426016

IUPACN-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine
SMILESC=CC(CCC)N(CC)C(C)CC(C)C
InChIInChI=1S/C14H29N/c1-7-10-14(8-2)15(9-3)13(6)11-12(4)5/h8,12-14H,2,7,9-11H2,1,3-6H3
InChIKeyHLLVSNNZKWTSDV-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds8

About N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine

N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine (PubChem CID 91426016) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine
PubChem CID91426016
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine
SMILESC=CC(CCC)N(CC)C(C)CC(C)C
InChIInChI=1S/C14H29N/c1-7-10-14(8-2)15(9-3)13(6)11-12(4)5/h8,12-14H,2,7,9-11H2,1,3-6H3
InChIKeyHLLVSNNZKWTSDV-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1Z)-buta-1,3-dienyl]-1-hex-1-en-3-ylhydrazine
CID 144683345
N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
CID 87378366
carbonic acid;3-methylhex-1-ene
CID 161181273
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
N,N-dimethyloct-1-en-3-amine
CID 123653053
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
2-methylpentane
CID 7892
N-ethyl-2-methyl-N-propylbut-3-en-1-amine
CID 143574283
N,N-dimethylhenicos-1-en-3-amine
CID 174322133
N,N-dimethylnonadec-1-en-3-amine
CID 174330581
3,4,5-trimethyloct-1-ene
CID 123841596
3-methylbut-1-ene;2-methylheptane
CID 157223055

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine?
The IUPAC name of N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine (CID 91426016) is N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine.
What is the SMILES notation for N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine?
The canonical SMILES for N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine is C=CC(CCC)N(CC)C(C)CC(C)C.
What is the InChIKey of N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine?
The InChIKey is HLLVSNNZKWTSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-10-14(8-2)15(9-3)13(6)11-12(4)5/h8,12-14H,2,7,9-11H2,1,3-6H3.
What are the key properties of N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine?
N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylpentan-2-yl)hex-1-en-3-amine is sourced from PubChem (CID 91426016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).