3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine

C11H24N2 — CID 116924914

IUPAC3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
SMILESCC(CCN)CC1CCN(C)CC1
InChIInChI=1S/C11H24N2/c1-10(3-6-12)9-11-4-7-13(2)8-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyBXAONQRZKDAMGD-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds4

About 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine

3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine (PubChem CID 116924914) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
PubChem CID116924914
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
SMILESCC(CCN)CC1CCN(C)CC1
InChIInChI=1S/C11H24N2/c1-10(3-6-12)9-11-4-7-13(2)8-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyBXAONQRZKDAMGD-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine?
The IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine (CID 116924914) is 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine is CC(CCN)CC1CCN(C)CC1.
What is the InChIKey of 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine?
The InChIKey is BXAONQRZKDAMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(3-6-12)9-11-4-7-13(2)8-5-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine?
3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine is sourced from PubChem (CID 116924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).