ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine

C18H40N2 — CID 142068067

IUPACethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
SMILESCC.CC=C(C)C.CCCN(C)CC1CCCN(C)C1
InChIInChI=1S/C11H24N2.C5H10.C2H6/c1-4-7-12(2)9-11-6-5-8-13(3)10-11;1-4-5(2)3;1-2/h11H,4-10H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyCSKOLKGJKXDZHD-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.67
Rot. Bonds4

About ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine

ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 142068067) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Nameethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID142068067
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Nameethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
SMILESCC.CC=C(C)C.CCCN(C)CC1CCCN(C)C1
InChIInChI=1S/C11H24N2.C5H10.C2H6/c1-4-7-12(2)9-11-6-5-8-13(3)10-11;1-4-5(2)3;1-2/h11H,4-10H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyCSKOLKGJKXDZHD-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 115207045
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
ethane;2-methylbut-2-ene;N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butan-1-amine
CID 142068127
ethane;3-ethyl-1-methylpiperidine
CID 142833851
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
CID 115250032
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine (CID 142068067) is ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine is CC.CC=C(C)C.CCCN(C)CC1CCCN(C)C1.
What is the InChIKey of ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is CSKOLKGJKXDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C5H10.C2H6/c1-4-7-12(2)9-11-6-5-8-13(3)10-11;1-4-5(2)3;1-2/h11H,4-10H2,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine?
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 284.53 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 142068067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).