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

C17H36N2 — CID 102913685

IUPAC3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCCC(C)C1CCCNC1)C(C)C
InChIInChI=1S/C17H36N2/c1-13(2)17(14(3)4)12-19-10-8-15(5)16-7-6-9-18-11-16/h13-19H,6-12H2,1-5H3
InChIKeyBMMGFYDKARZNIV-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.53
Rot. Bonds8

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

3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102913685) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
PubChem CID102913685
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCCC(C)C1CCCNC1)C(C)C
InChIInChI=1S/C17H36N2/c1-13(2)17(14(3)4)12-19-10-8-15(5)16-7-6-9-18-11-16/h13-19H,6-12H2,1-5H3
InChIKeyBMMGFYDKARZNIV-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81043624
3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 81044233
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045958
3-pentan-2-ylazepane
CID 107889859
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine
CID 114252222
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine (CID 102913685) is 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine is CC(C)C(CNCCC(C)C1CCCNC1)C(C)C.
What is the InChIKey of 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is BMMGFYDKARZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-13(2)17(14(3)4)12-19-10-8-15(5)16-7-6-9-18-11-16/h13-19H,6-12H2,1-5H3.
What are the key properties of 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102913685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).