N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine

C16H34N2 — CID 63163483

IUPACN-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
SMILESCCC1(C)CCN(CCCCNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(5)9-13-18(14-10-16)12-8-7-11-17-15(2,3)4/h17H,6-14H2,1-5H3
InChIKeySEKGJVZQMJEVMV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine

N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 63163483) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
PubChem CID63163483
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
SMILESCCC1(C)CCN(CCCCNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(5)9-13-18(14-10-16)12-8-7-11-17-15(2,3)4/h17H,6-14H2,1-5H3
InChIKeySEKGJVZQMJEVMV-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-2-methylbutan-2-amine
CID 63163502
4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63160182
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 63157135
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
CID 63158997
5-(4-ethyl-4-methylpiperidin-1-yl)-N-methylpentan-2-amine
CID 63160676
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238299

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine (CID 63163483) is N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine is CCC1(C)CCN(CCCCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is SEKGJVZQMJEVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(5)9-13-18(14-10-16)12-8-7-11-17-15(2,3)4/h17H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine?
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-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-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 63163483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).