N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine

C16H32N2 — CID 155672942

IUPACN-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1C(C)(C)CC(NCCCC)CC1(C)C
InChIInChI=1S/C16H32N2/c1-7-9-10-17-14-12-15(3,4)18(11-8-2)16(5,6)13-14/h8,14,17H,2,7,9-13H2,1,3-6H3
InChIKeyHTBOXQYNMKUSIP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.58
Rot. Bonds6

About N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine

N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine (PubChem CID 155672942) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine
PubChem CID155672942
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1C(C)(C)CC(NCCCC)CC1(C)C
InChIInChI=1S/C16H32N2/c1-7-9-10-17-14-12-15(3,4)18(11-8-2)16(5,6)13-14/h8,14,17H,2,7,9-13H2,1,3-6H3
InChIKeyHTBOXQYNMKUSIP-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine (CID 155672942) is N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine is C=CCN1C(C)(C)CC(NCCCC)CC1(C)C.
What is the InChIKey of N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine?
The InChIKey is HTBOXQYNMKUSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-9-10-17-14-12-15(3,4)18(11-8-2)16(5,6)13-14/h8,14,17H,2,7,9-13H2,1,3-6H3.
What are the key properties of N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine?
N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 155672942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).