ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine

C19H46N2 — CID 178111344

IUPACethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine
SMILESCC.CC.CC(C)CCN(C)C.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C7H17N.2C2H6/c1-8(2)4-6-9(3)7-5-8;1-7(2)5-6-8(3)4;2*1-2/h4-7H2,1-3H3;7H,5-6H2,1-4H3;2*1-2H3
InChIKeyIFZCOHQBQOVHAP-UHFFFAOYSA-N
MW302.59 g/mol
LogP5.38
Rot. Bonds3

About ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine

ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine (PubChem CID 178111344) has the molecular formula C19H46N2 and a molecular weight of 302.59 g/mol. Its IUPAC name is ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine.

Molecular Properties

Compound Nameethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine
PubChem CID178111344
Molecular FormulaC19H46N2
Molecular Weight302.59 g/mol
Exact Mass302.37
IUPAC Nameethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine
SMILESCC.CC.CC(C)CCN(C)C.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C7H17N.2C2H6/c1-8(2)4-6-9(3)7-5-8;1-7(2)5-6-8(3)4;2*1-2/h4-7H2,1-3H3;7H,5-6H2,1-4H3;2*1-2H3
InChIKeyIFZCOHQBQOVHAP-UHFFFAOYSA-N
XLogP5.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
CID 142891140
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
methanethiol;1,4,4-trimethylpiperidine
CID 178113124
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65074890
1,4,4,7,7-pentamethylazecane
CID 137411559
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 70961776
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine?
The IUPAC name of ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine (CID 178111344) is ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine.
What is the SMILES notation for ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine?
The canonical SMILES for ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine is CC.CC.CC(C)CCN(C)C.CN1CCC(C)(C)CC1.
What is the InChIKey of ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine?
The InChIKey is IFZCOHQBQOVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H17N.2C2H6/c1-8(2)4-6-9(3)7-5-8;1-7(2)5-6-8(3)4;2*1-2/h4-7H2,1-3H3;7H,5-6H2,1-4H3;2*1-2H3.
What are the key properties of ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine?
ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine has a molecular weight of 302.59 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine is sourced from PubChem (CID 178111344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).