N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine

C15H28F3N3 — CID 170707334

IUPACN'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine
SMILESCCCC1CCN(C(NCC(F)(F)F)N(C)C2CC2)CC1
InChIInChI=1S/C15H28F3N3/c1-3-4-12-7-9-21(10-8-12)14(19-11-15(16,17)18)20(2)13-5-6-13/h12-14,19H,3-11H2,1-2H3
InChIKeyJNZKSDTUJZYCQS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.03
Rot. Bonds7

About N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine

N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine (PubChem CID 170707334) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine
PubChem CID170707334
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC NameN'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine
SMILESCCCC1CCN(C(NCC(F)(F)F)N(C)C2CC2)CC1
InChIInChI=1S/C15H28F3N3/c1-3-4-12-7-9-21(10-8-12)14(19-11-15(16,17)18)20(2)13-5-6-13/h12-14,19H,3-11H2,1-2H3
InChIKeyJNZKSDTUJZYCQS-UHFFFAOYSA-N
XLogP3.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine (CID 170707334) is N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine is CCCC1CCN(C(NCC(F)(F)F)N(C)C2CC2)CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine?
The InChIKey is JNZKSDTUJZYCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-3-4-12-7-9-21(10-8-12)14(19-11-15(16,17)18)20(2)13-5-6-13/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine?
N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine has a molecular weight of 307.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine is sourced from PubChem (CID 170707334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).