3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine

C14H30N2 — CID 102904206

IUPAC3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC1CCNCC1)C(C)C
InChIInChI=1S/C14H30N2/c1-11(2)14(12(3)4)10-16-9-13-5-7-15-8-6-13/h11-16H,5-10H2,1-4H3
InChIKeyRNISNEUBASILNO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.50
Rot. Bonds6

About 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine

3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102904206) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
PubChem CID102904206
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC1CCNCC1)C(C)C
InChIInChI=1S/C14H30N2/c1-11(2)14(12(3)4)10-16-9-13-5-7-15-8-6-13/h11-16H,5-10H2,1-4H3
InChIKeyRNISNEUBASILNO-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79708240
3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
CID 102913546
3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine
CID 102913624
N-(piperidin-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 104759387
N-(chloromethyl)-1-piperidin-4-ylmethanamine
CID 134365297
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
[1-amino-2-(piperidin-4-ylmethylamino)ethyl]phosphonic acid
CID 127053163
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716
3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol
CID 120848676
N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255719
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine (CID 102904206) is 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine is CC(C)C(CNCC1CCNCC1)C(C)C.
What is the InChIKey of 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is RNISNEUBASILNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)14(12(3)4)10-16-9-13-5-7-15-8-6-13/h11-16H,5-10H2,1-4H3.
What are the key properties of 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).