N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine

C16H34N2 — CID 55069814

IUPACN-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
SMILESCCCC1CCN(C(C)CCNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-7-15-9-12-18(13-10-15)14(2)8-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyMBAGSLPFVYLJLN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine

N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine (PubChem CID 55069814) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
PubChem CID55069814
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
SMILESCCCC1CCN(C(C)CCNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-7-15-9-12-18(13-10-15)14(2)8-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyMBAGSLPFVYLJLN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 62439844
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982
N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114540096
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 107887847
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
N-propyl-3-(4-propylpiperidin-1-yl)butan-2-amine
CID 62201089
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137
2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087361

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine (CID 55069814) is N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine is CCCC1CCN(C(C)CCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine?
The InChIKey is MBAGSLPFVYLJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-15-9-12-18(13-10-15)14(2)8-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine?
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 55069814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).