azane;2,2-dimethyl-1-prop-2-ynylpiperidine

C10H20N2 — CID 175261164

IUPACazane;2,2-dimethyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCCCC1(C)C.N
InChIInChI=1S/C10H17N.H3N/c1-4-8-11-9-6-5-7-10(11,2)3;/h1H,5-9H2,2-3H3;1H3
InChIKeyNFGHUSWYSHNSSW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.05
Rot. Bonds1

About azane;2,2-dimethyl-1-prop-2-ynylpiperidine

azane;2,2-dimethyl-1-prop-2-ynylpiperidine (PubChem CID 175261164) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is azane;2,2-dimethyl-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Nameazane;2,2-dimethyl-1-prop-2-ynylpiperidine
PubChem CID175261164
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameazane;2,2-dimethyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCCCC1(C)C.N
InChIInChI=1S/C10H17N.H3N/c1-4-8-11-9-6-5-7-10(11,2)3;/h1H,5-9H2,2-3H3;1H3
InChIKeyNFGHUSWYSHNSSW-UHFFFAOYSA-N
XLogP2.05
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
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 azane;2,2-dimethyl-1-prop-2-ynylpiperidine?
The IUPAC name of azane;2,2-dimethyl-1-prop-2-ynylpiperidine (CID 175261164) is azane;2,2-dimethyl-1-prop-2-ynylpiperidine.
What is the SMILES notation for azane;2,2-dimethyl-1-prop-2-ynylpiperidine?
The canonical SMILES for azane;2,2-dimethyl-1-prop-2-ynylpiperidine is C#CCN1CCCCC1(C)C.N.
What is the InChIKey of azane;2,2-dimethyl-1-prop-2-ynylpiperidine?
The InChIKey is NFGHUSWYSHNSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H3N/c1-4-8-11-9-6-5-7-10(11,2)3;/h1H,5-9H2,2-3H3;1H3.
What are the key properties of azane;2,2-dimethyl-1-prop-2-ynylpiperidine?
azane;2,2-dimethyl-1-prop-2-ynylpiperidine has a molecular weight of 168.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethyl-1-prop-2-ynylpiperidine is sourced from PubChem (CID 175261164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).