3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine

C13H28N2 — CID 103497335

IUPAC3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
SMILESCC(CCN)CN1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)13-5-8-15(9-6-13)10-12(3)4-7-14/h11-13H,4-10,14H2,1-3H3
InChIKeyLKKPAQWQXRHLME-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.34
Rot. Bonds5

About 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine

3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine (PubChem CID 103497335) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
PubChem CID103497335
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
SMILESCC(CCN)CN1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)13-5-8-15(9-6-13)10-12(3)4-7-14/h11-13H,4-10,14H2,1-3H3
InChIKeyLKKPAQWQXRHLME-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
CID 80544135
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 106115086
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103
4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
CID 80544432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine (CID 103497335) is 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine is CC(CCN)CN1CCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
The InChIKey is LKKPAQWQXRHLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)13-5-8-15(9-6-13)10-12(3)4-7-14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 103497335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).