3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine

C16H34N2 — CID 113457709

IUPAC3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
SMILESCCCN1CCC(C(C)NC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-10-18-11-8-15(9-12-18)13(2)17-14(3)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyHGFDNNMHQNXHOQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine

3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine (PubChem CID 113457709) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
PubChem CID113457709
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
SMILESCCCN1CCC(C(C)NC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-10-18-11-8-15(9-12-18)13(2)17-14(3)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyHGFDNNMHQNXHOQ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
CID 71102045
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
1-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-2-amine
CID 43307539
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
CID 61498192
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
CID 106250980

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine (CID 113457709) is 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine is CCCN1CCC(C(C)NC(C)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine?
The InChIKey is HGFDNNMHQNXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-10-18-11-8-15(9-12-18)13(2)17-14(3)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine?
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 113457709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).