N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine

C15H30N2 — CID 79179721

IUPACN-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H30N2/c1-6-15(5,14(13(3)4)16-7-2)17-11-9-8-10-12-17/h14,16H,3,6-12H2,1-2,4-5H3
InChIKeyUNFJACCMFIABDH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine

N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine (PubChem CID 79179721) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine
PubChem CID79179721
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C15H30N2/c1-6-15(5,14(13(3)4)16-7-2)17-11-9-8-10-12-17/h14,16H,3,6-12H2,1-2,4-5H3
InChIKeyUNFJACCMFIABDH-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179723
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
2-(azepan-1-yl)-N-ethyl-2,5-dimethylhex-5-en-3-amine
CID 79185094
N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79064855
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
4-methyl-4-piperidin-1-yl-N-propylhex-1-en-3-amine
CID 79064782
N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 79060679
2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
CID 79064997
ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
CID 102538625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine?
The IUPAC name of N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine (CID 79179721) is N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine.
What is the SMILES notation for N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine?
The canonical SMILES for N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine is C=C(C)C(NCC)C(C)(CC)N1CCCCC1.
What is the InChIKey of N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine?
The InChIKey is UNFJACCMFIABDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-15(5,14(13(3)4)16-7-2)17-11-9-8-10-12-17/h14,16H,3,6-12H2,1-2,4-5H3.
What are the key properties of N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine?
N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine is sourced from PubChem (CID 79179721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).