1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine

C13H28N2 — CID 164928841

IUPAC1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)CCN1CCC(NC(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)5-8-15-9-6-13(7-10-15)14-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyRBNPJVCAGRLDIL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine

1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine (PubChem CID 164928841) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
PubChem CID164928841
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)CCN1CCC(NC(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)5-8-15-9-6-13(7-10-15)14-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyRBNPJVCAGRLDIL-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
CID 166168128
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 171640050
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine (CID 164928841) is 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine is CC(C)CCN1CCC(NC(C)C)CC1.
What is the InChIKey of 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine?
The InChIKey is RBNPJVCAGRLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)5-8-15-9-6-13(7-10-15)14-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine?
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 164928841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).