N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine

C15H28N2 — CID 142616104

IUPACN,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine
SMILESCC(C)C#CCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C15H28N2/c1-14(2)7-5-6-10-17-11-8-15(9-12-17)13-16(3)4/h14-15H,6,8-13H2,1-4H3
InChIKeyDRFGHMKFRBJWPB-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.31
Rot. Bonds4

About N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine (PubChem CID 142616104) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine
PubChem CID142616104
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine
SMILESCC(C)C#CCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C15H28N2/c1-14(2)7-5-6-10-17-11-8-15(9-12-17)13-16(3)4/h14-15H,6,8-13H2,1-4H3
InChIKeyDRFGHMKFRBJWPB-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine (CID 142616104) is N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine is CC(C)C#CCCN1CCC(CN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine?
The InChIKey is DRFGHMKFRBJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-14(2)7-5-6-10-17-11-8-15(9-12-17)13-16(3)4/h14-15H,6,8-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine has a molecular weight of 236.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 142616104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).