N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine

C13H24N2 — CID 106632063

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
SMILESCC#CCN(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H24N2/c1-4-5-10-15(12(2)3)11-13-8-6-7-9-14-13/h12-14H,6-11H2,1-3H3
InChIKeyKGOVTBVLXOHCOV-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine

N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine (PubChem CID 106632063) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
PubChem CID106632063
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
SMILESCC#CCN(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H24N2/c1-4-5-10-15(12(2)3)11-13-8-6-7-9-14-13/h12-14H,6-11H2,1-3H3
InChIKeyKGOVTBVLXOHCOV-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631638
(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
CID 106632187
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
N-(2-piperidin-1-ylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631959

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine (CID 106632063) is N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine is CC#CCN(CC1CCCCN1)C(C)C.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine?
The InChIKey is KGOVTBVLXOHCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-10-15(12(2)3)11-13-8-6-7-9-14-13/h12-14H,6-11H2,1-3H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine?
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine is sourced from PubChem (CID 106632063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).