N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine

C13H26N2 — CID 115717921

IUPACN-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC(C)CC)CC1
InChIInChI=1S/C13H26N2/c1-5-12(4)14-13-6-8-15(9-7-13)10-11(2)3/h12-14H,2,5-10H2,1,3-4H3
InChIKeyJQTXVQYQHBWHOX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds5

About N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine

N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 115717921) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID115717921
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NC(C)CC)CC1
InChIInChI=1S/C13H26N2/c1-5-12(4)14-13-6-8-15(9-7-13)10-11(2)3/h12-14H,2,5-10H2,1,3-4H3
InChIKeyJQTXVQYQHBWHOX-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
CID 115300548
N-(cyclopropylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 78946388
1-(2-methylprop-2-enyl)-4-(2-methylpropyl)piperidine
CID 155706752
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 75427981
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
CID 166535515
1-(2-methylprop-2-enyl)-N-(thiolan-3-yl)piperidin-4-amine
CID 115717918
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 115717921) is N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NC(C)CC)CC1.
What is the InChIKey of N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is JQTXVQYQHBWHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-12(4)14-13-6-8-15(9-7-13)10-11(2)3/h12-14H,2,5-10H2,1,3-4H3.
What are the key properties of N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 115717921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).