N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine

C16H32N2 — CID 19965468

IUPACN,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine
SMILESC=C(C(C)C)N1CCC(C(C)(C)CN(C)C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)14(3)18-10-8-15(9-11-18)16(4,5)12-17(6)7/h13,15H,3,8-12H2,1-2,4-7H3
InChIKeyHFBHBXLWDQEQQQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.46
Rot. Bonds5

About N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine

N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine (PubChem CID 19965468) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine
PubChem CID19965468
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine
SMILESC=C(C(C)C)N1CCC(C(C)(C)CN(C)C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)14(3)18-10-8-15(9-11-18)16(4,5)12-17(6)7/h13,15H,3,8-12H2,1-2,4-7H3
InChIKeyHFBHBXLWDQEQQQ-UHFFFAOYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine?
The IUPAC name of N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine (CID 19965468) is N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine?
The canonical SMILES for N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine is C=C(C(C)C)N1CCC(C(C)(C)CN(C)C)CC1.
What is the InChIKey of N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine?
The InChIKey is HFBHBXLWDQEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)14(3)18-10-8-15(9-11-18)16(4,5)12-17(6)7/h13,15H,3,8-12H2,1-2,4-7H3.
What are the key properties of N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine?
N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 19965468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).